1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone

C10H11NO — CID 143996204

IUPAC1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone
SMILESCC(=O)/C1=N/C=C/C=C\C=C\C1
InChIInChI=1S/C10H11NO/c1-9(12)10-7-5-3-2-4-6-8-11-10/h2-6,8H,7H2,1H3/b4-2-,5-3+,8-6+,11-10+
InChIKeyNVOUOZXPSXAPPJ-NAMSPQRGSA-N
MW161.20 g/mol
LogP2.05
Rot. Bonds1

About 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone

1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone (PubChem CID 143996204) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone
PubChem CID143996204
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone
SMILESCC(=O)/C1=N/C=C/C=C\C=C\C1
InChIInChI=1S/C10H11NO/c1-9(12)10-7-5-3-2-4-6-8-11-10/h2-6,8H,7H2,1H3/b4-2-,5-3+,8-6+,11-10+
InChIKeyNVOUOZXPSXAPPJ-NAMSPQRGSA-N
XLogP2.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Ethenylimino-5-methylhex-4-en-2-one
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(4Z)-3-ethenyliminohepta-4,6-dien-2-one
CID 137469965
(Z)-4-ethyliminohept-5-en-2-one
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(2E,6E)-9-methyl-4,5-dihydroazonin-8-one
CID 142401863
2,8-dimethyl-4H-azocin-3-one
CID 164112467
(5E,7Z)-7-methyl-8-(3-oxobutan-2-ylideneamino)octa-5,7-dien-2-one
CID 171623358
2-prop-1-enyl-4H-pyridin-3-one
CID 173339339
(4E)-3-ethenylimino-5,6-dimethylhepta-4,6-dien-2-one
CID 144311978

Frequently Asked Questions

What is the IUPAC name of 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone?
The IUPAC name of 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone (CID 143996204) is 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone.
What is the SMILES notation for 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone?
The canonical SMILES for 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone is CC(=O)/C1=N/C=C/C=C\C=C\C1.
What is the InChIKey of 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone?
The InChIKey is NVOUOZXPSXAPPJ-NAMSPQRGSA-N. The full InChI is InChI=1S/C10H11NO/c1-9(12)10-7-5-3-2-4-6-8-11-10/h2-6,8H,7H2,1H3/b4-2-,5-3+,8-6+,11-10+.
What are the key properties of 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone?
1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone has a molecular weight of 161.20 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,6Z,8E)-3H-azonin-2-yl]ethanone is sourced from PubChem (CID 143996204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).