1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone

C9H13NO — CID 45085810

IUPAC1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone
SMILESC/C=C1/CCCN=C1C(C)=O
InChIInChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h3H,4-6H2,1-2H3/b8-3-
InChIKeyGAEQLABCUJPAHA-BAQGIRSFSA-N
MW151.21 g/mol
LogP1.76
Rot. Bonds1

About 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone

1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone (PubChem CID 45085810) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone
PubChem CID45085810
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone
SMILESC/C=C1/CCCN=C1C(C)=O
InChIInChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h3H,4-6H2,1-2H3/b8-3-
InChIKeyGAEQLABCUJPAHA-BAQGIRSFSA-N
XLogP1.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone?
The IUPAC name of 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone (CID 45085810) is 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone?
The canonical SMILES for 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone is C/C=C1/CCCN=C1C(C)=O.
What is the InChIKey of 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone?
The InChIKey is GAEQLABCUJPAHA-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h3H,4-6H2,1-2H3/b8-3-.
What are the key properties of 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone?
1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone is sourced from PubChem (CID 45085810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).