(6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C21H20ClNO3 — CID 24517923

IUPAC(6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2=Cc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C21H20ClNO3/c1-25-18-7-4-14(5-8-18)19-3-2-10-23(19)21(24)16-11-15-12-17(22)6-9-20(15)26-13-16/h4-9,11-12,19H,2-3,10,13H2,1H3
InChIKeyJSMYVFVSPHRNPC-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.49
Rot. Bonds3

About (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

(6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 24517923) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID24517923
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name(6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2=Cc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C21H20ClNO3/c1-25-18-7-4-14(5-8-18)19-3-2-10-23(19)21(24)16-11-15-12-17(22)6-9-20(15)26-13-16/h4-9,11-12,19H,2-3,10,13H2,1H3
InChIKeyJSMYVFVSPHRNPC-UHFFFAOYSA-N
XLogP4.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-2H-chromen-3-yl)-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 24517939
1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43241864
(6-methoxy-2H-chromen-3-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124684607
(7-methoxy-2H-chromen-3-yl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952966
2H-chromen-3-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 9291396
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
2H-chromen-3-yl-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone
CID 9490267
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 32985933
(2-chloro-5-methylsulfanylphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766798
[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 9320558
(6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110252201
(2-chloro-5-methylsulfonylphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78779298

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 24517923) is (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)C2=Cc3cc(Cl)ccc3OC2)cc1.
What is the InChIKey of (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is JSMYVFVSPHRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-25-18-7-4-14(5-8-18)19-3-2-10-23(19)21(24)16-11-15-12-17(22)6-9-20(15)26-13-16/h4-9,11-12,19H,2-3,10,13H2,1H3.
What are the key properties of (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
(6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 369.85 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 24517923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).