(2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide

C8H13ClN2O — CID 103797176

IUPAC(2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(Cl)CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C8H13ClN2O/c1-6(9)5-11-8(12)7-3-2-4-10-7/h7,10H,1-5H2,(H,11,12)/t7-/m1/s1
InChIKeyZHSPBKJGKQWPRK-SSDOTTSWSA-N
MW188.66 g/mol
LogP0.61
Rot. Bonds3

About (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide

(2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide (PubChem CID 103797176) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide
PubChem CID103797176
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name(2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(Cl)CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C8H13ClN2O/c1-6(9)5-11-8(12)7-3-2-4-10-7/h7,10H,1-5H2,(H,11,12)/t7-/m1/s1
InChIKeyZHSPBKJGKQWPRK-SSDOTTSWSA-N
XLogP0.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide (CID 103797176) is (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide is C=C(Cl)CNC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide?
The InChIKey is ZHSPBKJGKQWPRK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-6(9)5-11-8(12)7-3-2-4-10-7/h7,10H,1-5H2,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide has a molecular weight of 188.66 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloroprop-2-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103797176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).