(5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine

C12H17N — CID 123975465

IUPAC(5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine
SMILESC=C/C=C1/CCCN=C1/C=C\CC
InChIInChI=1S/C12H17N/c1-3-5-9-12-11(7-4-2)8-6-10-13-12/h4-5,7,9H,2-3,6,8,10H2,1H3/b9-5-,11-7-
InChIKeyIDVNIMAKNHQCPR-PPZLUQPJSA-N
MW175.27 g/mol
LogP3.30
Rot. Bonds3

About (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine

(5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine (PubChem CID 123975465) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name(5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine
PubChem CID123975465
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine
SMILESC=C/C=C1/CCCN=C1/C=C\CC
InChIInChI=1S/C12H17N/c1-3-5-9-12-11(7-4-2)8-6-10-13-12/h4-5,7,9H,2-3,6,8,10H2,1H3/b9-5-,11-7-
InChIKeyIDVNIMAKNHQCPR-PPZLUQPJSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Nigrifactin
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2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
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Koreenceine A
CID 146683591
Azabicyclohexene
CID 67825525
4-Methyl-2,3-dihydroquinoline
CID 68274032
2-fluoro-N-pentylcyclohexa-2,4-dien-1-imine
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5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
CID 146429564

Frequently Asked Questions

What is the IUPAC name of (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine?
The IUPAC name of (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine (CID 123975465) is (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine.
What is the SMILES notation for (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine?
The canonical SMILES for (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine is C=C/C=C1/CCCN=C1/C=C\CC.
What is the InChIKey of (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine?
The InChIKey is IDVNIMAKNHQCPR-PPZLUQPJSA-N. The full InChI is InChI=1S/C12H17N/c1-3-5-9-12-11(7-4-2)8-6-10-13-12/h4-5,7,9H,2-3,6,8,10H2,1H3/b9-5-,11-7-.
What are the key properties of (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine?
(5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine has a molecular weight of 175.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-[(Z)-but-1-enyl]-5-prop-2-enylidene-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 123975465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).