(Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one

C12H19NO — CID 156741442

IUPAC(Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one
SMILESCC/C=C\C(C)(/C=C\C=N/C)C(C)=O
InChIInChI=1S/C12H19NO/c1-5-6-8-12(3,11(2)14)9-7-10-13-4/h6-10H,5H2,1-4H3/b8-6-,9-7-,13-10-
InChIKeyNMWXEDAWLJVFCQ-FLAKKGMPSA-N
MW193.29 g/mol
LogP2.80
Rot. Bonds5

About (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one

(Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one (PubChem CID 156741442) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one.

Molecular Properties

Compound Name(Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one
PubChem CID156741442
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one
SMILESCC/C=C\C(C)(/C=C\C=N/C)C(C)=O
InChIInChI=1S/C12H19NO/c1-5-6-8-12(3,11(2)14)9-7-10-13-4/h6-10H,5H2,1-4H3/b8-6-,9-7-,13-10-
InChIKeyNMWXEDAWLJVFCQ-FLAKKGMPSA-N
XLogP2.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(Z)-N-(3-methyliminoprop-1-enyl)pent-2-en-2-amine
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acetic acid;(Z)-hex-3-ene
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(E)-2,2-dimethylhex-3-ene
CID 5357261
(E)-3,3,6,6-tetramethylhept-4-en-2-one
CID 89008676
ethyl (E)-2,2-dimethylhex-3-enoate
CID 21487406
(E)-2,2-difluorohex-3-enoic acid
CID 21432334
5-but-1-enyl-5-prop-2-enylnona-3,6-diene
CID 173069698
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
CID 163696706

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one?
The IUPAC name of (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one (CID 156741442) is (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one.
What is the SMILES notation for (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one?
The canonical SMILES for (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one is CC/C=C\C(C)(/C=C\C=N/C)C(C)=O.
What is the InChIKey of (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one?
The InChIKey is NMWXEDAWLJVFCQ-FLAKKGMPSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-6-8-12(3,11(2)14)9-7-10-13-4/h6-10H,5H2,1-4H3/b8-6-,9-7-,13-10-.
What are the key properties of (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one?
(Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one is sourced from PubChem (CID 156741442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).