adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine

C104H196N2O — CID 160722364

IUPACadamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine
SMILESC.C.C1=CCC=C1.C1=CCCCC1.C1=Cc2ccccc2C1.C1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC1CCOc2ccccc21.CC1CCc2ccccc21.CCC.CCC.CCC.CCC.CN1CCC1.c1ccncc1
InChIInChI=1S/C10H12O.C10H16.C10H12.C9H8.C9H12.C6H10.C5H5N.C5H6.C4H9N.4C3H8.11C2H6.2CH4/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-2-9-4-8(1)5-10(3-7)6-9;1-8-6-7-9-4-2-3-5-10(8)9;1-2-5-9-7-3-6-8(9)4-1;1-8(2)9-6-4-3-5-7-9;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-5-3-2-4-5;4*1-3-2;11*1-2;;/h2-5,8H,6-7H2,1H3;7-10H,1-6H2;2-5,8H,6-7H2,1H3;1-6H,7H2;3-8H,1-2H3;1-2H,3-6H2;1-5H;1-4H,5H2;2-4H2,1H3;4*3H2,1-2H3;11*1-2H3;2*1H4
InChIKeyRTGMWSRFTYDCDY-UHFFFAOYSA-N
MW1490.72 g/mol
LogP36.46
Rot. Bonds1

About adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine

adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine (PubChem CID 160722364) has the molecular formula C104H196N2O and a molecular weight of 1490.72 g/mol. Its IUPAC name is adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine.

Molecular Properties

Compound Nameadamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine
PubChem CID160722364
Molecular FormulaC104H196N2O
Molecular Weight1490.72 g/mol
Exact Mass1489.53
IUPAC Nameadamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine
SMILESC.C.C1=CCC=C1.C1=CCCCC1.C1=Cc2ccccc2C1.C1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC1CCOc2ccccc21.CC1CCc2ccccc21.CCC.CCC.CCC.CCC.CN1CCC1.c1ccncc1
InChIInChI=1S/C10H12O.C10H16.C10H12.C9H8.C9H12.C6H10.C5H5N.C5H6.C4H9N.4C3H8.11C2H6.2CH4/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-2-9-4-8(1)5-10(3-7)6-9;1-8-6-7-9-4-2-3-5-10(8)9;1-2-5-9-7-3-6-8(9)4-1;1-8(2)9-6-4-3-5-7-9;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-5-3-2-4-5;4*1-3-2;11*1-2;;/h2-5,8H,6-7H2,1H3;7-10H,1-6H2;2-5,8H,6-7H2,1H3;1-6H,7H2;3-8H,1-2H3;1-2H,3-6H2;1-5H;1-4H,5H2;2-4H2,1H3;4*3H2,1-2H3;11*1-2H3;2*1H4
InChIKeyRTGMWSRFTYDCDY-UHFFFAOYSA-N
XLogP36.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001490.72
LogP ≤ 536.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine with MolForge

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Related Compounds

cumene;cyclopenta-1,3-diene;ethane;1H-indene;propane;pyridine
CID 162104834
1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 159674492
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(cyclohexa-1,3-diene);cyclohexane;cyclohexene;cyclopentane;2,3-dihydro-1H-indene;ethane;1H-indene;methane;naphthalene;bis(1,2,3,4-tetrahydronaphthalene)
CID 158825040
3,4-dihydro-2H-chromene;1H-indene
CID 66618736
1,3-benzodioxole;cumene;ethane;bis(2-methylpropane);pyridine
CID 157317278
1H-indene;pyrazine
CID 175286554
bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
CID 159335923
bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;cyclohexane;1,3-dimethylcyclobutane;ethylcyclobutane;bis(methylcyclopentane);1-methyl-2,3-dihydro-1H-indene;tricyclo[2.2.1.02,6]heptane
CID 158194105
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.1]hept-2-ene;bicyclo[3.1.0]hexane;bicyclo[2.2.2]octane;bicyclo[2.1.0]pentane;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;2,3-dihydro-1H-indene;1H-indene;1,2,3,4-tetrahydronaphthalene
CID 158048091
ethane;5-ethyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 178025100
cumene;methane;1-methylpiperidine
CID 177007302
cumene;ethane;bis(2-methylpropane);pyrazine;pyridine
CID 160911443

Frequently Asked Questions

What is the IUPAC name of adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine?
The IUPAC name of adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine (CID 160722364) is adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine.
What is the SMILES notation for adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine?
The canonical SMILES for adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine is C.C.C1=CCC=C1.C1=CCCCC1.C1=Cc2ccccc2C1.C1C2CC3CC1CC(C2)C3.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC1CCOc2ccccc21.CC1CCc2ccccc21.CCC.CCC.CCC.CCC.CN1CCC1.c1ccncc1.
What is the InChIKey of adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine?
The InChIKey is RTGMWSRFTYDCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C10H16.C10H12.C9H8.C9H12.C6H10.C5H5N.C5H6.C4H9N.4C3H8.11C2H6.2CH4/c1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-2-9-4-8(1)5-10(3-7)6-9;1-8-6-7-9-4-2-3-5-10(8)9;1-2-5-9-7-3-6-8(9)4-1;1-8(2)9-6-4-3-5-7-9;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-5-3-2-4-5;4*1-3-2;11*1-2;;/h2-5,8H,6-7H2,1H3;7-10H,1-6H2;2-5,8H,6-7H2,1H3;1-6H,7H2;3-8H,1-2H3;1-2H,3-6H2;1-5H;1-4H,5H2;2-4H2,1H3;4*3H2,1-2H3;11*1-2H3;2*1H4.
What are the key properties of adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine?
adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine has a molecular weight of 1490.72 g/mol, XLogP of 36.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine is sourced from PubChem (CID 160722364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).