(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine

C12H14ClNO — CID 66519243

IUPAC(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
SMILESClc1cc2c(c([C@@H]3CCCN3)c1)OCC2
InChIInChI=1S/C12H14ClNO/c13-9-6-8-3-5-15-12(8)10(7-9)11-2-1-4-14-11/h6-7,11,14H,1-5H2/t11-/m0/s1
InChIKeyLQMGFKDIECHIBX-NSHDSACASA-N
MW223.70 g/mol
LogP2.70
Rot. Bonds1

About (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine

(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine (PubChem CID 66519243) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
PubChem CID66519243
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
SMILESClc1cc2c(c([C@@H]3CCCN3)c1)OCC2
InChIInChI=1S/C12H14ClNO/c13-9-6-8-3-5-15-12(8)10(7-9)11-2-1-4-14-11/h6-7,11,14H,1-5H2/t11-/m0/s1
InChIKeyLQMGFKDIECHIBX-NSHDSACASA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
CID 66518877
5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran
CID 141158967
(2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130965092
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519589
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560871
5-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 66518742
2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
CID 66519219
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117338806
(2R)-2-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519430
5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55273654
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine
CID 117319500

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
The IUPAC name of (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine (CID 66519243) is (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine is Clc1cc2c(c([C@@H]3CCCN3)c1)OCC2.
What is the InChIKey of (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
The InChIKey is LQMGFKDIECHIBX-NSHDSACASA-N. The full InChI is InChI=1S/C12H14ClNO/c13-9-6-8-3-5-15-12(8)10(7-9)11-2-1-4-14-11/h6-7,11,14H,1-5H2/t11-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine has a molecular weight of 223.70 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine is sourced from PubChem (CID 66519243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).