cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine

C77H179N11O6S — CID 158382531

IUPACcyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine
SMILESC.C1=CCCCC1.C1=CNCN1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCNCC1.C1CNCCN1.C1CNCN1.C1COCCN1.C1CSCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CNC(=O)O1.CC1COC1.CN1CCOC1=O
InChIInChI=1S/C6H10.C5H11N.3C5H10.C4H10N2.2C4H7NO2.C4H9NO.C4H9NS.C4H8O.C3H8N2.C3H6N2.10C2H6.CH4/c2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-6-4-3-5-1;1-5-2-3-7-4(5)6;1-3-2-5-4(6)7-3;2*1-3-6-4-2-5-1;1-4-2-5-3-4;2*1-2-5-3-4-1;10*1-2;/h1-2H,3-6H2;6H,1-5H2;3*1-5H2;5-6H,1-4H2;2-3H2,1H3;3H,2H2,1H3,(H,5,6);2*5H,1-4H2;4H,2-3H2,1H3;4-5H,1-3H2;1-2,4-5H,3H2;10*1-2H3;1H4
InChIKeyGVYYYDFIIBZPMO-UHFFFAOYSA-N
MW1387.42 g/mol
LogP18.31
Rot. Bonds

About cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine

cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine (PubChem CID 158382531) has the molecular formula C77H179N11O6S and a molecular weight of 1387.42 g/mol. Its IUPAC name is cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine.

Molecular Properties

Compound Namecyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine
PubChem CID158382531
Molecular FormulaC77H179N11O6S
Molecular Weight1387.42 g/mol
Exact Mass1386.38
IUPAC Namecyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine
SMILESC.C1=CCCCC1.C1=CNCN1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCNCC1.C1CNCCN1.C1CNCN1.C1COCCN1.C1CSCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CNC(=O)O1.CC1COC1.CN1CCOC1=O
InChIInChI=1S/C6H10.C5H11N.3C5H10.C4H10N2.2C4H7NO2.C4H9NO.C4H9NS.C4H8O.C3H8N2.C3H6N2.10C2H6.CH4/c2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-6-4-3-5-1;1-5-2-3-7-4(5)6;1-3-2-5-4(6)7-3;2*1-3-6-4-2-5-1;1-4-2-5-3-4;2*1-2-5-3-4-1;10*1-2;/h1-2H,3-6H2;6H,1-5H2;3*1-5H2;5-6H,1-4H2;2-3H2,1H3;3H,2H2,1H3,(H,5,6);2*5H,1-4H2;4H,2-3H2,1H3;4-5H,1-3H2;1-2,4-5H,3H2;10*1-2H3;1H4
InChIKeyGVYYYDFIIBZPMO-UHFFFAOYSA-N
XLogP18.31
TPSA194.60 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001387.42
LogP ≤ 518.31
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine with MolForge

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Related Compounds

ethane;3-methyl-1,3,8-oxadiazecan-2-one
CID 142445079
cyclohexane;cyclopentane;ethane;nonakis(2-methylpropane);morpholine;oxane;oxolane;piperazine;piperidine;pyrrolidine;thiomorpholine
CID 162002858
azepane;cycloheptane;cycloheptene;1,4-diazepane;pentadecakis(2,2-dimethylpropane);1,3-dioxan-2-one;ethane;1,3-oxazinan-2-one;oxepane;piperidine-2,6-dione;propane;2,3,6,7-tetrahydrooxepine;thiepane
CID 161172102
3-methyl-1,3-oxazolidin-2-one;1,3-oxazolidin-2-one
CID 23176876
cyclohexene;morpholine
CID 21499984
imidazolidine;morpholine;oxane;1,3-oxazolidine;oxolane;piperazine;piperidine;pyrrolidine;1,3-thiazolidine
CID 162108136
2,6-dimethylmorpholine;morpholine;thiomorpholine
CID 159728961
azepane;cyclobutane;cycloheptane;cycloheptene;bis(cyclohexane);cyclohexene;cyclooctane;bis(cyclopentane);cyclopentene;bis(3,4-dihydro-2H-pyrrole);1,4-dioxane;1,3-dioxolane;1,4-dithiane;morpholine;1,3-oxazolidine;oxepane;bis(pyrrolidine);2,3,6,7-tetrahydro-1H-azepine;thiepane;thiomorpholine
CID 158157348
oxepane;piperazine;thiomorpholine
CID 160642361
cyclobutane;cyclohexane;cyclohexene;cyclopentane;cyclopropane;1,4-dioxane;morpholine;oxane;oxetane;oxolane
CID 159317335
azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine
CID 160905652
(9Z)-1-azacyclopentadec-9-ene
CID 10822312

Frequently Asked Questions

What is the IUPAC name of cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine?
The IUPAC name of cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine (CID 158382531) is cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine.
What is the SMILES notation for cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine?
The canonical SMILES for cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine is C.C1=CCCCC1.C1=CNCN1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCNCC1.C1CNCCN1.C1CNCN1.C1COCCN1.C1CSCCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CNC(=O)O1.CC1COC1.CN1CCOC1=O.
What is the InChIKey of cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine?
The InChIKey is GVYYYDFIIBZPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H11N.3C5H10.C4H10N2.2C4H7NO2.C4H9NO.C4H9NS.C4H8O.C3H8N2.C3H6N2.10C2H6.CH4/c2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-6-4-3-5-1;1-5-2-3-7-4(5)6;1-3-2-5-4(6)7-3;2*1-3-6-4-2-5-1;1-4-2-5-3-4;2*1-2-5-3-4-1;10*1-2;/h1-2H,3-6H2;6H,1-5H2;3*1-5H2;5-6H,1-4H2;2-3H2,1H3;3H,2H2,1H3,(H,5,6);2*5H,1-4H2;4H,2-3H2,1H3;4-5H,1-3H2;1-2,4-5H,3H2;10*1-2H3;1H4.
What are the key properties of cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine?
cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine has a molecular weight of 1387.42 g/mol, XLogP of 18.31, 0 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;tris(cyclopentane);2,3-dihydro-1H-imidazole;ethane;imidazolidine;methane;3-methyl-1,3-oxazolidin-2-one;5-methyl-1,3-oxazolidin-2-one;3-methyloxetane;morpholine;piperazine;piperidine;thiomorpholine is sourced from PubChem (CID 158382531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).