1-chloroprop-1-ene

C3H5Cl — CID 11536

IUPAC1-chloroprop-1-ene
SMILESCC=CCl
InChIInChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3
InChIKeyOWXJKYNZGFSVRC-UHFFFAOYSA-N
MW76.53 g/mol
LogP1.76
Rot. Bonds

About 1-chloroprop-1-ene

1-chloroprop-1-ene (PubChem CID 11536) has the molecular formula C3H5Cl and a molecular weight of 76.53 g/mol. Its IUPAC name is 1-chloroprop-1-ene.

Molecular Properties

Compound Name1-chloroprop-1-ene
PubChem CID11536
Molecular FormulaC3H5Cl
Molecular Weight76.53 g/mol
Exact Mass76.01
IUPAC Name1-chloroprop-1-ene
SMILESCC=CCl
InChIInChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3
InChIKeyOWXJKYNZGFSVRC-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.53
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-1-ene?
The IUPAC name of 1-chloroprop-1-ene (CID 11536) is 1-chloroprop-1-ene.
What is the SMILES notation for 1-chloroprop-1-ene?
The canonical SMILES for 1-chloroprop-1-ene is CC=CCl.
What is the InChIKey of 1-chloroprop-1-ene?
The InChIKey is OWXJKYNZGFSVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3.
What are the key properties of 1-chloroprop-1-ene?
1-chloroprop-1-ene has a molecular weight of 76.53 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-1-ene is sourced from PubChem (CID 11536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).