1-dimethylphosphanyl-1-iminobutan-2-one

C6H12NOP — CID 91138970

IUPAC1-dimethylphosphanyl-1-iminobutan-2-one
SMILES[H]/N=C(/C(=O)CC)P(C)C
InChIInChI=1S/C6H12NOP/c1-4-5(8)6(7)9(2)3/h7H,4H2,1-3H3/b7-6-
InChIKeyDCDUVARAKAXBSW-SREVYHEPSA-N
MW145.14 g/mol
LogP1.68
Rot. Bonds3

About 1-dimethylphosphanyl-1-iminobutan-2-one

1-dimethylphosphanyl-1-iminobutan-2-one (PubChem CID 91138970) has the molecular formula C6H12NOP and a molecular weight of 145.14 g/mol. Its IUPAC name is 1-dimethylphosphanyl-1-iminobutan-2-one.

Molecular Properties

Compound Name1-dimethylphosphanyl-1-iminobutan-2-one
PubChem CID91138970
Molecular FormulaC6H12NOP
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name1-dimethylphosphanyl-1-iminobutan-2-one
SMILES[H]/N=C(/C(=O)CC)P(C)C
InChIInChI=1S/C6H12NOP/c1-4-5(8)6(7)9(2)3/h7H,4H2,1-3H3/b7-6-
InChIKeyDCDUVARAKAXBSW-SREVYHEPSA-N
XLogP1.68
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-dimethylphosphanyl-1-iminobutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iminopentan-3-one;methanol
CID 144635571
4-methanimidoylhex-4-en-3-one
CID 155692065
4,5-dipropyloct-4-ene-3,6-dione
CID 142732258
1-hydroxy-3-iminohexan-2-one
CID 146743170
propanimidoylphosphonic acid
CID 91928949
5-iminoheptanamide
CID 123928104
5-hydroxy-4-imino-5-(trifluoromethyl)heptan-3-one
CID 174687082
methyl 4-iminohexanoate
CID 23565330
hexan-3-imine
CID 44512023
N-oxopropanimidamide
CID 174117199
hydron;propanimidate;hydrochloride
CID 173251815
CID 57352970
CID 57352970

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphanyl-1-iminobutan-2-one?
The IUPAC name of 1-dimethylphosphanyl-1-iminobutan-2-one (CID 91138970) is 1-dimethylphosphanyl-1-iminobutan-2-one.
What is the SMILES notation for 1-dimethylphosphanyl-1-iminobutan-2-one?
The canonical SMILES for 1-dimethylphosphanyl-1-iminobutan-2-one is [H]/N=C(/C(=O)CC)P(C)C.
What is the InChIKey of 1-dimethylphosphanyl-1-iminobutan-2-one?
The InChIKey is DCDUVARAKAXBSW-SREVYHEPSA-N. The full InChI is InChI=1S/C6H12NOP/c1-4-5(8)6(7)9(2)3/h7H,4H2,1-3H3/b7-6-.
What are the key properties of 1-dimethylphosphanyl-1-iminobutan-2-one?
1-dimethylphosphanyl-1-iminobutan-2-one has a molecular weight of 145.14 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphanyl-1-iminobutan-2-one is sourced from PubChem (CID 91138970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).