3-(2-methylprop-1-enylimino)pent-4-en-2-one

C9H13NO — CID 89349894

IUPAC3-(2-methylprop-1-enylimino)pent-4-en-2-one
SMILESC=C/C(=N\C=C(C)C)C(C)=O
InChIInChI=1S/C9H13NO/c1-5-9(8(4)11)10-6-7(2)3/h5-6H,1H2,2-4H3/b10-9+
InChIKeyZHTPKMGFLCOHHQ-MDZDMXLPSA-N
MW151.21 g/mol
LogP2.13
Rot. Bonds3

About 3-(2-methylprop-1-enylimino)pent-4-en-2-one

3-(2-methylprop-1-enylimino)pent-4-en-2-one (PubChem CID 89349894) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-(2-methylprop-1-enylimino)pent-4-en-2-one.

Molecular Properties

Compound Name3-(2-methylprop-1-enylimino)pent-4-en-2-one
PubChem CID89349894
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-(2-methylprop-1-enylimino)pent-4-en-2-one
SMILESC=C/C(=N\C=C(C)C)C(C)=O
InChIInChI=1S/C9H13NO/c1-5-9(8(4)11)10-6-7(2)3/h5-6H,1H2,2-4H3/b10-9+
InChIKeyZHTPKMGFLCOHHQ-MDZDMXLPSA-N
XLogP2.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enylimino)pent-4-en-2-one?
The IUPAC name of 3-(2-methylprop-1-enylimino)pent-4-en-2-one (CID 89349894) is 3-(2-methylprop-1-enylimino)pent-4-en-2-one.
What is the SMILES notation for 3-(2-methylprop-1-enylimino)pent-4-en-2-one?
The canonical SMILES for 3-(2-methylprop-1-enylimino)pent-4-en-2-one is C=C/C(=N\C=C(C)C)C(C)=O.
What is the InChIKey of 3-(2-methylprop-1-enylimino)pent-4-en-2-one?
The InChIKey is ZHTPKMGFLCOHHQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H13NO/c1-5-9(8(4)11)10-6-7(2)3/h5-6H,1H2,2-4H3/b10-9+.
What are the key properties of 3-(2-methylprop-1-enylimino)pent-4-en-2-one?
3-(2-methylprop-1-enylimino)pent-4-en-2-one has a molecular weight of 151.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enylimino)pent-4-en-2-one is sourced from PubChem (CID 89349894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).