chloroethene;pyrrolidin-2-one

C6H10ClNO — CID 159763245

IUPACchloroethene;pyrrolidin-2-one
SMILESC=CCl.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H3Cl/c6-4-2-1-3-5-4;1-2-3/h1-3H2,(H,5,6);2H,1H2
InChIKeyNFEADWCWTXTZLY-UHFFFAOYSA-N
MW147.60 g/mol
LogP1.27
Rot. Bonds

About chloroethene;pyrrolidin-2-one

chloroethene;pyrrolidin-2-one (PubChem CID 159763245) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is chloroethene;pyrrolidin-2-one.

Molecular Properties

Compound Namechloroethene;pyrrolidin-2-one
PubChem CID159763245
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Namechloroethene;pyrrolidin-2-one
SMILESC=CCl.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H3Cl/c6-4-2-1-3-5-4;1-2-3/h1-3H2,(H,5,6);2H,1H2
InChIKeyNFEADWCWTXTZLY-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of chloroethene;pyrrolidin-2-one?
The IUPAC name of chloroethene;pyrrolidin-2-one (CID 159763245) is chloroethene;pyrrolidin-2-one.
What is the SMILES notation for chloroethene;pyrrolidin-2-one?
The canonical SMILES for chloroethene;pyrrolidin-2-one is C=CCl.O=C1CCCN1.
What is the InChIKey of chloroethene;pyrrolidin-2-one?
The InChIKey is NFEADWCWTXTZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H3Cl/c6-4-2-1-3-5-4;1-2-3/h1-3H2,(H,5,6);2H,1H2.
What are the key properties of chloroethene;pyrrolidin-2-one?
chloroethene;pyrrolidin-2-one has a molecular weight of 147.60 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;pyrrolidin-2-one is sourced from PubChem (CID 159763245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).