2-methyl-4-(propan-2-ylideneamino)pentan-3-one

C9H17NO — CID 59882695

IUPAC2-methyl-4-(propan-2-ylideneamino)pentan-3-one
SMILESCC(C)=NC(C)C(=O)C(C)C
InChIInChI=1S/C9H17NO/c1-6(2)9(11)8(5)10-7(3)4/h6,8H,1-5H3
InChIKeyZZPDCTJVFQQWSK-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.08
Rot. Bonds3

About 2-methyl-4-(propan-2-ylideneamino)pentan-3-one

2-methyl-4-(propan-2-ylideneamino)pentan-3-one (PubChem CID 59882695) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-4-(propan-2-ylideneamino)pentan-3-one.

Molecular Properties

Compound Name2-methyl-4-(propan-2-ylideneamino)pentan-3-one
PubChem CID59882695
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-4-(propan-2-ylideneamino)pentan-3-one
SMILESCC(C)=NC(C)C(=O)C(C)C
InChIInChI=1S/C9H17NO/c1-6(2)9(11)8(5)10-7(3)4/h6,8H,1-5H3
InChIKeyZZPDCTJVFQQWSK-UHFFFAOYSA-N
XLogP2.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.08
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

4-(3-Methylbutylimino)pentan-2-one
CID 20512966
4-(3-Methylbutan-2-ylimino)pentan-2-one
CID 90322524
methyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate
CID 90782344
4-Methyl-3-propan-2-yliminopentan-2-one
CID 91178549
ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate
CID 91586475
3-Ethylimino-4-methylpentan-2-one
CID 123801553
3-(2-Methylbutylimino)butan-2-one
CID 123975737
1-(Pentan-2-ylideneamino)butan-2-one
CID 149520881
4-Methyl-1-(propan-2-ylideneamino)pentan-2-one
CID 158056346
3-Methyl-1-(propan-2-ylideneamino)butan-2-one
CID 161356194
3,3-Dimethyl-1-(2,2,4,4-tetramethylpentan-3-ylideneamino)butan-2-one
CID 161803300
3,3-Dimethyl-1-(propan-2-ylideneamino)butan-2-one
CID 167593280

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(propan-2-ylideneamino)pentan-3-one?
The IUPAC name of 2-methyl-4-(propan-2-ylideneamino)pentan-3-one (CID 59882695) is 2-methyl-4-(propan-2-ylideneamino)pentan-3-one.
What is the SMILES notation for 2-methyl-4-(propan-2-ylideneamino)pentan-3-one?
The canonical SMILES for 2-methyl-4-(propan-2-ylideneamino)pentan-3-one is CC(C)=NC(C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-4-(propan-2-ylideneamino)pentan-3-one?
The InChIKey is ZZPDCTJVFQQWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)9(11)8(5)10-7(3)4/h6,8H,1-5H3.
What are the key properties of 2-methyl-4-(propan-2-ylideneamino)pentan-3-one?
2-methyl-4-(propan-2-ylideneamino)pentan-3-one has a molecular weight of 155.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(propan-2-ylideneamino)pentan-3-one is sourced from PubChem (CID 59882695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).