ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one

C10H19NO — CID 143996187

IUPACethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one
SMILESC/N=C/C(C)=C\CC(C)=O.CC
InChIInChI=1S/C8H13NO.C2H6/c1-7(6-9-3)4-5-8(2)10;1-2/h4,6H,5H2,1-3H3;1-2H3/b7-4-,9-6+;
InChIKeyJLDHYUNPFDQJCV-XEAPTMNZSA-N
MW169.27 g/mol
LogP2.64
Rot. Bonds3

About ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one

ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one (PubChem CID 143996187) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one.

Molecular Properties

Compound Nameethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one
PubChem CID143996187
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one
SMILESC/N=C/C(C)=C\CC(C)=O.CC
InChIInChI=1S/C8H13NO.C2H6/c1-7(6-9-3)4-5-8(2)10;1-2/h4,6H,5H2,1-3H3;1-2H3/b7-4-,9-6+;
InChIKeyJLDHYUNPFDQJCV-XEAPTMNZSA-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_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methyl-2,3-dihydropyridin-5-yl)ethanone
CID 90048799
ethane;5-methyl-3H-pyridin-2-one
CID 90750626
1-(2,3-Dihydropyridin-5-yl)ethanone
CID 90766949
3-(Methyliminomethyl)hex-3-en-2-one
CID 91071380
(Z)-3-methyl-1-methyliminopent-3-en-2-one
CID 91074948
(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one
CID 91524353
(E)-4-(methyliminomethyl)hex-4-en-3-one
CID 123280547
6-Methyliminohex-4-en-2-one
CID 123302516
4-Methyl-5-methyliminopent-3-en-2-one
CID 123560270
3-(Methyliminomethyl)pent-3-en-2-one
CID 123831882
5-Methyl-3-methyliminohex-4-en-2-one
CID 123878016
(Z)-4-(ethyliminomethyl)hex-4-en-2-one
CID 134560633

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one?
The IUPAC name of ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one (CID 143996187) is ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one.
What is the SMILES notation for ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one?
The canonical SMILES for ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one is C/N=C/C(C)=C\CC(C)=O.CC.
What is the InChIKey of ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one?
The InChIKey is JLDHYUNPFDQJCV-XEAPTMNZSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-7(6-9-3)4-5-8(2)10;1-2/h4,6H,5H2,1-3H3;1-2H3/b7-4-,9-6+;.
What are the key properties of ethane;(Z)-5-methyl-6-methyliminohex-4-en-2-one?
ethane;(Z)-5-methyl-6-methyliminohex-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)-5-methyl-6-methyliminohex-4-en-2-one is sourced from PubChem (CID 143996187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).