3-[(Z)-hept-4-en-2-yl]pyridine

C12H17N — CID 83929814

IUPAC3-[(Z)-hept-4-en-2-yl]pyridine
SMILESCC/C=C\CC(C)c1cccnc1
InChIInChI=1S/C12H17N/c1-3-4-5-7-11(2)12-8-6-9-13-10-12/h4-6,8-11H,3,7H2,1-2H3/b5-4-
InChIKeyPGWHATPTGLDTFM-PLNGDYQASA-N
MW175.27 g/mol
LogP3.54
Rot. Bonds4

About 3-[(Z)-hept-4-en-2-yl]pyridine

3-[(Z)-hept-4-en-2-yl]pyridine (PubChem CID 83929814) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-[(Z)-hept-4-en-2-yl]pyridine.

Molecular Properties

Compound Name3-[(Z)-hept-4-en-2-yl]pyridine
PubChem CID83929814
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-[(Z)-hept-4-en-2-yl]pyridine
SMILESCC/C=C\CC(C)c1cccnc1
InChIInChI=1S/C12H17N/c1-3-4-5-7-11(2)12-8-6-9-13-10-12/h4-6,8-11H,3,7H2,1-2H3/b5-4-
InChIKeyPGWHATPTGLDTFM-PLNGDYQASA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(Z)-hept-4-en-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyridin-3-ylbutanal
CID 12727117
3-pyridin-3-ylbutan-1-ol
CID 23506282
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-hept-4-en-2-yl]pyridine?
The IUPAC name of 3-[(Z)-hept-4-en-2-yl]pyridine (CID 83929814) is 3-[(Z)-hept-4-en-2-yl]pyridine.
What is the SMILES notation for 3-[(Z)-hept-4-en-2-yl]pyridine?
The canonical SMILES for 3-[(Z)-hept-4-en-2-yl]pyridine is CC/C=C\CC(C)c1cccnc1.
What is the InChIKey of 3-[(Z)-hept-4-en-2-yl]pyridine?
The InChIKey is PGWHATPTGLDTFM-PLNGDYQASA-N. The full InChI is InChI=1S/C12H17N/c1-3-4-5-7-11(2)12-8-6-9-13-10-12/h4-6,8-11H,3,7H2,1-2H3/b5-4-.
What are the key properties of 3-[(Z)-hept-4-en-2-yl]pyridine?
3-[(Z)-hept-4-en-2-yl]pyridine has a molecular weight of 175.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-hept-4-en-2-yl]pyridine is sourced from PubChem (CID 83929814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).