4-[benzyl(methyl)hydrazinylidene]pentan-2-one

C13H18N2O — CID 140633095

IUPAC4-[benzyl(methyl)hydrazinylidene]pentan-2-one
SMILESCC(=O)CC(C)=NN(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(9-12(2)16)14-15(3)10-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyJFOWINVHWITECU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.47
Rot. Bonds5

About 4-[benzyl(methyl)hydrazinylidene]pentan-2-one

4-[benzyl(methyl)hydrazinylidene]pentan-2-one (PubChem CID 140633095) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[benzyl(methyl)hydrazinylidene]pentan-2-one.

Molecular Properties

Compound Name4-[benzyl(methyl)hydrazinylidene]pentan-2-one
PubChem CID140633095
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-[benzyl(methyl)hydrazinylidene]pentan-2-one
SMILESCC(=O)CC(C)=NN(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(9-12(2)16)14-15(3)10-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyJFOWINVHWITECU-UHFFFAOYSA-N
XLogP2.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine
CID 123599091
N-benzyl-N-methylnitrous amide
CID 13643
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
2-amino-N-methyl-N-[(E)-4-oxopentan-2-ylideneamino]benzamide
CID 12606534
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
N-methyl-3-oxo-N-(3-phenylprop-1-enyl)butanamide
CID 174416598
3-benzyliminobutanoic acid
CID 23175618
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)hydrazinylidene]pentan-2-one?
The IUPAC name of 4-[benzyl(methyl)hydrazinylidene]pentan-2-one (CID 140633095) is 4-[benzyl(methyl)hydrazinylidene]pentan-2-one.
What is the SMILES notation for 4-[benzyl(methyl)hydrazinylidene]pentan-2-one?
The canonical SMILES for 4-[benzyl(methyl)hydrazinylidene]pentan-2-one is CC(=O)CC(C)=NN(C)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(methyl)hydrazinylidene]pentan-2-one?
The InChIKey is JFOWINVHWITECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(9-12(2)16)14-15(3)10-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3.
What are the key properties of 4-[benzyl(methyl)hydrazinylidene]pentan-2-one?
4-[benzyl(methyl)hydrazinylidene]pentan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)hydrazinylidene]pentan-2-one is sourced from PubChem (CID 140633095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).