1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid

C8H12ClNO2 — CID 13396240

IUPAC1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid
SMILESC=C(Cl)CN1CCCC1C(=O)O
InChIInChI=1S/C8H12ClNO2/c1-6(9)5-10-4-2-3-7(10)8(11)12/h7H,1-5H2,(H,11,12)
InChIKeyXUIJEXKLRAUIDN-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.29
Rot. Bonds3

About 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid

1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid (PubChem CID 13396240) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid
PubChem CID13396240
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid
SMILESC=C(Cl)CN1CCCC1C(=O)O
InChIInChI=1S/C8H12ClNO2/c1-6(9)5-10-4-2-3-7(10)8(11)12/h7H,1-5H2,(H,11,12)
InChIKeyXUIJEXKLRAUIDN-UHFFFAOYSA-N
XLogP1.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910511
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
CID 66737893
CID 66737893
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride
CID 130639648
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
1-[2-(azocan-1-yl)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564718

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid (CID 13396240) is 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid is C=C(Cl)CN1CCCC1C(=O)O.
What is the InChIKey of 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XUIJEXKLRAUIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-6(9)5-10-4-2-3-7(10)8(11)12/h7H,1-5H2,(H,11,12).
What are the key properties of 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid?
1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid has a molecular weight of 189.64 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 13396240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).