1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid

C15H14ClNO4 — CID 43241864

IUPAC1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C15H14ClNO4/c16-11-3-4-13-9(7-11)6-10(8-21-13)14(18)17-5-1-2-12(17)15(19)20/h3-4,6-7,12H,1-2,5,8H2,(H,19,20)
InChIKeyFENRAEZEFBUKTP-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.19
Rot. Bonds2

About 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43241864) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43241864
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C15H14ClNO4/c16-11-3-4-13-9(7-11)6-10(8-21-13)14(18)17-5-1-2-12(17)15(19)20/h3-4,6-7,12H,1-2,5,8H2,(H,19,20)
InChIKeyFENRAEZEFBUKTP-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 24517923
(6-chloro-2H-chromen-3-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 24517939
[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
(6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030457
(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625169
(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96577008
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 46641376
1-(4-chloro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 64559155
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)pyrrolidine-2-carboxylic acid
CID 51885517
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 43241864) is 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FENRAEZEFBUKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c16-11-3-4-13-9(7-11)6-10(8-21-13)14(18)17-5-1-2-12(17)15(19)20/h3-4,6-7,12H,1-2,5,8H2,(H,19,20).
What are the key properties of 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43241864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).