1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one

C12H17ClN2O — CID 142239724

IUPAC1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one
SMILESCCC(=O)C(Cc1cccc(Cl)c1)NNC
InChIInChI=1S/C12H17ClN2O/c1-3-12(16)11(15-14-2)8-9-5-4-6-10(13)7-9/h4-7,11,14-15H,3,8H2,1-2H3
InChIKeySUDHIYVZNHOTHX-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.95
Rot. Bonds6

About 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one

1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one (PubChem CID 142239724) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one
PubChem CID142239724
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one
SMILESCCC(=O)C(Cc1cccc(Cl)c1)NNC
InChIInChI=1S/C12H17ClN2O/c1-3-12(16)11(15-14-2)8-9-5-4-6-10(13)7-9/h4-7,11,14-15H,3,8H2,1-2H3
InChIKeySUDHIYVZNHOTHX-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(3-chlorophenyl)-2-(fluoroamino)propanoic acid
CID 174451213
methyl (2S)-2-acetamido-3-(3-chlorophenyl)propanoate
CID 11219042
methyl (2S)-3-(3-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 46900288
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
5-(3-chlorophenyl)-4-methylpentan-2-one
CID 64721392
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 120515175

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one (CID 142239724) is 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one is CCC(=O)C(Cc1cccc(Cl)c1)NNC.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one?
The InChIKey is SUDHIYVZNHOTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-12(16)11(15-14-2)8-9-5-4-6-10(13)7-9/h4-7,11,14-15H,3,8H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one?
1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one has a molecular weight of 240.73 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-methylhydrazinyl)pentan-3-one is sourced from PubChem (CID 142239724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).