2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine

C13H16ClNO — CID 117046569

IUPAC2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine
SMILESClc1ccc2c(c1)CCC(C1CCCN1)O2
InChIInChI=1S/C13H16ClNO/c14-10-4-6-12-9(8-10)3-5-13(16-12)11-2-1-7-15-11/h4,6,8,11,13,15H,1-3,5,7H2
InChIKeyZNBKUVAMNJFACX-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.79
Rot. Bonds1

About 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine

2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine (PubChem CID 117046569) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine
PubChem CID117046569
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine
SMILESClc1ccc2c(c1)CCC(C1CCCN1)O2
InChIInChI=1S/C13H16ClNO/c14-10-4-6-12-9(8-10)3-5-13(16-12)11-2-1-7-15-11/h4,6,8,11,13,15H,1-3,5,7H2
InChIKeyZNBKUVAMNJFACX-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-2-yl-3,4-dihydro-2H-chromen-6-ol
CID 117046599
2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
CID 105497348
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
CID 145256711
2-[(1R)-6-chloro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456666
6-chloro-2-phenyl-3,4-dihydro-2H-chromene
CID 13250352
(2R)-6-chloro-3,4-dihydro-2H-chromene-2-carboxamide
CID 66893695
2-(2,3-dihydro-1-benzofuran-2-yl)piperidine
CID 54034431
8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825530
2-(1,3-benzodioxol-2-yl)pyrrolidine
CID 144586760
(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran
CID 142930046
1-[1-(2,5-dichlorophenyl)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274734
(2S)-2-pyrrolidin-2-yl-2,3-dihydrofuro[3,2-b]pyridine
CID 57257469

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine?
The IUPAC name of 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine (CID 117046569) is 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine.
What is the SMILES notation for 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine?
The canonical SMILES for 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine is Clc1ccc2c(c1)CCC(C1CCCN1)O2.
What is the InChIKey of 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine?
The InChIKey is ZNBKUVAMNJFACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-10-4-6-12-9(8-10)3-5-13(16-12)11-2-1-7-15-11/h4,6,8,11,13,15H,1-3,5,7H2.
What are the key properties of 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine?
2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine has a molecular weight of 237.73 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine is sourced from PubChem (CID 117046569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).