ethane;(Z)-3-methyliminohept-4-en-2-one

C10H19NO — CID 145071777

IUPACethane;(Z)-3-methyliminohept-4-en-2-one
SMILESCC.CC/C=C\C(=N\C)C(C)=O
InChIInChI=1S/C8H13NO.C2H6/c1-4-5-6-8(9-3)7(2)10;1-2/h5-6H,4H2,1-3H3;1-2H3/b6-5-,9-8-;
InChIKeyFMOILRRKKSRROA-YYYWGHDMSA-N
MW169.27 g/mol
LogP2.64
Rot. Bonds3

About ethane;(Z)-3-methyliminohept-4-en-2-one

ethane;(Z)-3-methyliminohept-4-en-2-one (PubChem CID 145071777) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;(Z)-3-methyliminohept-4-en-2-one.

Molecular Properties

Compound Nameethane;(Z)-3-methyliminohept-4-en-2-one
PubChem CID145071777
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;(Z)-3-methyliminohept-4-en-2-one
SMILESCC.CC/C=C\C(=N\C)C(C)=O
InChIInChI=1S/C8H13NO.C2H6/c1-4-5-6-8(9-3)7(2)10;1-2/h5-6H,4H2,1-3H3;1-2H3/b6-5-,9-8-;
InChIKeyFMOILRRKKSRROA-YYYWGHDMSA-N
XLogP2.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.64
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'}

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Related Compounds

1-(3-Fluoro-2,3-dihydropyridin-6-yl)ethanone
CID 70264178
3-Ethylimino-4-fluorohex-4-en-2-one
CID 123908334
1-(2H-pyrrol-5-yl)ethanone
CID 58270108
3-[2-(Dimethylamino)ethylimino]hex-4-en-2-one
CID 87305181
(E)-4-[(Z)-but-1-enyl]iminohept-5-en-3-one
CID 89298368
1-[2-(C,N-dimethylcarbonimidoyl)-2-methyl-3H-pyridin-6-yl]ethanone
CID 89313162
N-[(E)-hept-2-en-4-ylidene]propanamide
CID 117742259
1-(2,3-Dihydropyridin-6-yl)ethanone
CID 121321845
(Z)-3-methyl-6-methyliminohept-4-en-2-one
CID 123343354
(Z)-2-methyliminohept-4-en-3-one
CID 123385875
(E)-5-methyliminohept-3-en-2-one
CID 123464330
3-Methyliminohex-4-en-2-one
CID 123747362

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-methyliminohept-4-en-2-one?
The IUPAC name of ethane;(Z)-3-methyliminohept-4-en-2-one (CID 145071777) is ethane;(Z)-3-methyliminohept-4-en-2-one.
What is the SMILES notation for ethane;(Z)-3-methyliminohept-4-en-2-one?
The canonical SMILES for ethane;(Z)-3-methyliminohept-4-en-2-one is CC.CC/C=C\C(=N\C)C(C)=O.
What is the InChIKey of ethane;(Z)-3-methyliminohept-4-en-2-one?
The InChIKey is FMOILRRKKSRROA-YYYWGHDMSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-4-5-6-8(9-3)7(2)10;1-2/h5-6H,4H2,1-3H3;1-2H3/b6-5-,9-8-;.
What are the key properties of ethane;(Z)-3-methyliminohept-4-en-2-one?
ethane;(Z)-3-methyliminohept-4-en-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-methyliminohept-4-en-2-one is sourced from PubChem (CID 145071777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).