1,1-dichloro-2-nitrosoprop-1-ene

C3H3Cl2NO — CID 12727294

IUPAC1,1-dichloro-2-nitrosoprop-1-ene
SMILESCC(N=O)=C(Cl)Cl
InChIInChI=1S/C3H3Cl2NO/c1-2(6-7)3(4)5/h1H3
InChIKeyYSKBPIMKJCESSG-UHFFFAOYSA-N
MW139.97 g/mol
LogP2.42
Rot. Bonds1

About 1,1-dichloro-2-nitrosoprop-1-ene

1,1-dichloro-2-nitrosoprop-1-ene (PubChem CID 12727294) has the molecular formula C3H3Cl2NO and a molecular weight of 139.97 g/mol. Its IUPAC name is 1,1-dichloro-2-nitrosoprop-1-ene.

Molecular Properties

Compound Name1,1-dichloro-2-nitrosoprop-1-ene
PubChem CID12727294
Molecular FormulaC3H3Cl2NO
Molecular Weight139.97 g/mol
Exact Mass138.96
IUPAC Name1,1-dichloro-2-nitrosoprop-1-ene
SMILESCC(N=O)=C(Cl)Cl
InChIInChI=1S/C3H3Cl2NO/c1-2(6-7)3(4)5/h1H3
InChIKeyYSKBPIMKJCESSG-UHFFFAOYSA-N
XLogP2.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.97
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,1-dichloro-2-nitrosoprop-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-nitrosoprop-1-ene?
The IUPAC name of 1,1-dichloro-2-nitrosoprop-1-ene (CID 12727294) is 1,1-dichloro-2-nitrosoprop-1-ene.
What is the SMILES notation for 1,1-dichloro-2-nitrosoprop-1-ene?
The canonical SMILES for 1,1-dichloro-2-nitrosoprop-1-ene is CC(N=O)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-nitrosoprop-1-ene?
The InChIKey is YSKBPIMKJCESSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2NO/c1-2(6-7)3(4)5/h1H3.
What are the key properties of 1,1-dichloro-2-nitrosoprop-1-ene?
1,1-dichloro-2-nitrosoprop-1-ene has a molecular weight of 139.97 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-nitrosoprop-1-ene is sourced from PubChem (CID 12727294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).