(Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one

C12H19NO — CID 168972308

IUPAC(Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one
SMILESC=C(/C=C\N=C(/C)CCC)C(=O)CC
InChIInChI=1S/C12H19NO/c1-5-7-11(4)13-9-8-10(3)12(14)6-2/h8-9H,3,5-7H2,1-2,4H3/b9-8-,13-11+
InChIKeyLSDLSXBNERZHJW-CWXHDNBGSA-N
MW193.29 g/mol
LogP3.30
Rot. Bonds6

About (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one

(Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one (PubChem CID 168972308) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one.

Molecular Properties

Compound Name(Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one
PubChem CID168972308
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one
SMILESC=C(/C=C\N=C(/C)CCC)C(=O)CC
InChIInChI=1S/C12H19NO/c1-5-7-11(4)13-9-8-10(3)12(14)6-2/h8-9H,3,5-7H2,1-2,4H3/b9-8-,13-11+
InChIKeyLSDLSXBNERZHJW-CWXHDNBGSA-N
XLogP3.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine
CID 135210367
(Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile
CID 168972725
4-methylideneheptan-3-one
CID 13485259
ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one
CID 177053569
2-chloropent-1-en-3-one
CID 12710524
N-[(1Z)-buta-1,3-dienyl]butan-2-imine
CID 142112981
heptane;2-methylpent-1-en-3-one
CID 142189704
tris(butan-2-one);tris(pentan-2-one)
CID 157203121
methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
CID 172950111
4,5-dipropyloct-4-ene-3,6-dione
CID 142732258
benzene;bis(2-methylpent-1-en-3-one)
CID 160638485
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one?
The IUPAC name of (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one (CID 168972308) is (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one.
What is the SMILES notation for (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one?
The canonical SMILES for (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one is C=C(/C=C\N=C(/C)CCC)C(=O)CC.
What is the InChIKey of (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one?
The InChIKey is LSDLSXBNERZHJW-CWXHDNBGSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-7-11(4)13-9-8-10(3)12(14)6-2/h8-9H,3,5-7H2,1-2,4H3/b9-8-,13-11+.
What are the key properties of (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one?
(Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one has a molecular weight of 193.29 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one is sourced from PubChem (CID 168972308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).