cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole

C77H165N5O — CID 157475973

IUPACcyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole
SMILESC1=CCN=C1.C1CCCCC1.C=C1C=CCCC1.C=C1C=NCC1.C=C1CCC=N1.C=C1CCCC=N1.C=C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1C=NCCC1
InChIInChI=1S/C7H12.C7H10.C6H9N.C6H12.C5H7NO.2C5H7N.C4H5N.16C2H6/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;7-5-2-1-3-6-4-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-2-4-5-3-1;16*1-2/h1-6H2;3,5H,1-2,4,6H2;5H,1-4H2;1-6H2;4H,1-3H2;2*4H,1-3H2;1-3H,4H2;16*1-2H3
InChIKeyBVPBUVHXDKUXTH-UHFFFAOYSA-N
MW1177.20 g/mol
LogP28.73
Rot. Bonds

About cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole

cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole (PubChem CID 157475973) has the molecular formula C77H165N5O and a molecular weight of 1177.20 g/mol. Its IUPAC name is cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole.

Molecular Properties

Compound Namecyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole
PubChem CID157475973
Molecular FormulaC77H165N5O
Molecular Weight1177.20 g/mol
Exact Mass1176.30
IUPAC Namecyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole
SMILESC1=CCN=C1.C1CCCCC1.C=C1C=CCCC1.C=C1C=NCC1.C=C1CCC=N1.C=C1CCCC=N1.C=C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1C=NCCC1
InChIInChI=1S/C7H12.C7H10.C6H9N.C6H12.C5H7NO.2C5H7N.C4H5N.16C2H6/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;7-5-2-1-3-6-4-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-2-4-5-3-1;16*1-2/h1-6H2;3,5H,1-2,4,6H2;5H,1-4H2;1-6H2;4H,1-3H2;2*4H,1-3H2;1-3H,4H2;16*1-2H3
InChIKeyBVPBUVHXDKUXTH-UHFFFAOYSA-N
XLogP28.73
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001177.20
LogP ≤ 528.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole?
The IUPAC name of cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole (CID 157475973) is cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole.
What is the SMILES notation for cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole?
The canonical SMILES for cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole is C1=CCN=C1.C1CCCCC1.C=C1C=CCCC1.C=C1C=NCC1.C=C1CCC=N1.C=C1CCCC=N1.C=C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1C=NCCC1.
What is the InChIKey of cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole?
The InChIKey is BVPBUVHXDKUXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C7H10.C6H9N.C6H12.C5H7NO.2C5H7N.C4H5N.16C2H6/c2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;7-5-2-1-3-6-4-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-2-4-5-3-1;16*1-2/h1-6H2;3,5H,1-2,4,6H2;5H,1-4H2;1-6H2;4H,1-3H2;2*4H,1-3H2;1-3H,4H2;16*1-2H3.
What are the key properties of cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole?
cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole has a molecular weight of 1177.20 g/mol, XLogP of 28.73, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;3,4-dihydro-2H-pyridin-5-one;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole is sourced from PubChem (CID 157475973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).