1-(4-chlorophenyl)-3-nitrosopropan-1-one

C9H8ClNO2 — CID 57229803

IUPAC1-(4-chlorophenyl)-3-nitrosopropan-1-one
SMILESO=NCCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO2/c10-8-3-1-7(2-4-8)9(12)5-6-11-13/h1-4H,5-6H2
InChIKeyRIPZDUYJDIACPP-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-chlorophenyl)-3-nitrosopropan-1-one

1-(4-chlorophenyl)-3-nitrosopropan-1-one (PubChem CID 57229803) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-nitrosopropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-nitrosopropan-1-one
PubChem CID57229803
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name1-(4-chlorophenyl)-3-nitrosopropan-1-one
SMILESO=NCCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO2/c10-8-3-1-7(2-4-8)9(12)5-6-11-13/h1-4H,5-6H2
InChIKeyRIPZDUYJDIACPP-UHFFFAOYSA-N
XLogP2.68
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
4-[4-(4-chlorophenyl)-4-oxobutanoyl]benzonitrile
CID 135368287
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
1-(4-chlorophenyl)-3-ethoxypropan-1-one
CID 115601476
5-(4-chlorophenyl)-5-oxopentanehydrazide
CID 171817093
3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 86152302
3-(4-chlorophenyl)-3-oxopropanal
CID 10442356
5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium
CID 57366153
[2-(4-chlorophenyl)-2-oxoethyl]phosphonic acid
CID 70418776

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-nitrosopropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-nitrosopropan-1-one (CID 57229803) is 1-(4-chlorophenyl)-3-nitrosopropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-nitrosopropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-nitrosopropan-1-one is O=NCCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-nitrosopropan-1-one?
The InChIKey is RIPZDUYJDIACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-8-3-1-7(2-4-8)9(12)5-6-11-13/h1-4H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)-3-nitrosopropan-1-one?
1-(4-chlorophenyl)-3-nitrosopropan-1-one has a molecular weight of 197.62 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-nitrosopropan-1-one is sourced from PubChem (CID 57229803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).