(Z)-5-ethylimino-3-methylhept-2-en-4-one

C10H17NO — CID 91558890

IUPAC(Z)-5-ethylimino-3-methylhept-2-en-4-one
SMILESC/C=C(/C)C(=O)/C(CC)=N/CC
InChIInChI=1S/C10H17NO/c1-5-8(4)10(12)9(6-2)11-7-3/h5H,6-7H2,1-4H3/b8-5-,11-9+
InChIKeyKMVGXZJNSWWJNC-TWGJSUAUSA-N
MW167.25 g/mol
LogP2.39
Rot. Bonds4

About (Z)-5-ethylimino-3-methylhept-2-en-4-one

(Z)-5-ethylimino-3-methylhept-2-en-4-one (PubChem CID 91558890) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-5-ethylimino-3-methylhept-2-en-4-one.

Molecular Properties

Compound Name(Z)-5-ethylimino-3-methylhept-2-en-4-one
PubChem CID91558890
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-5-ethylimino-3-methylhept-2-en-4-one
SMILESC/C=C(/C)C(=O)/C(CC)=N/CC
InChIInChI=1S/C10H17NO/c1-5-8(4)10(12)9(6-2)11-7-3/h5H,6-7H2,1-4H3/b8-5-,11-9+
InChIKeyKMVGXZJNSWWJNC-TWGJSUAUSA-N
XLogP2.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4,6,6-Tetramethyl-3(6H)-pyridinone
CID 21775038
(E)-8,8,8-trifluoro-5-methyl-7-methyliminooct-5-en-4-one
CID 155718417
2,3,6-Trimethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 57553800
2,6-Dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium
CID 58194049
3,6-dihydro-2H-quinolin-5-one
CID 67546033
1-(6-Methyl-2,3-dihydropyridin-5-yl)ethanone
CID 89404439
7-Ethyl-2,6-dihydroazepin-5-one
CID 90999673
1-(5-Ethyl-2,3-dihydropyridin-6-yl)ethanone
CID 91357305
(Z)-3-methyl-5-methyliminohept-2-en-4-one
CID 91610518
5-Ethylimino-7-methyl-3-methyliminooct-6-en-4-one
CID 123159502
3-(N-ethyl-C-methylcarbonimidoyl)-4-methylpent-3-en-2-one
CID 123346614
1-Methylimino-4-propyloct-4-en-3-one
CID 123567511

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethylimino-3-methylhept-2-en-4-one?
The IUPAC name of (Z)-5-ethylimino-3-methylhept-2-en-4-one (CID 91558890) is (Z)-5-ethylimino-3-methylhept-2-en-4-one.
What is the SMILES notation for (Z)-5-ethylimino-3-methylhept-2-en-4-one?
The canonical SMILES for (Z)-5-ethylimino-3-methylhept-2-en-4-one is C/C=C(/C)C(=O)/C(CC)=N/CC.
What is the InChIKey of (Z)-5-ethylimino-3-methylhept-2-en-4-one?
The InChIKey is KMVGXZJNSWWJNC-TWGJSUAUSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-8(4)10(12)9(6-2)11-7-3/h5H,6-7H2,1-4H3/b8-5-,11-9+.
What are the key properties of (Z)-5-ethylimino-3-methylhept-2-en-4-one?
(Z)-5-ethylimino-3-methylhept-2-en-4-one has a molecular weight of 167.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethylimino-3-methylhept-2-en-4-one is sourced from PubChem (CID 91558890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).