2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine

C13H16ClNO — CID 105499907

IUPAC2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
SMILESClc1cccc2c1OCC(C1CCCN1)C2
InChIInChI=1S/C13H16ClNO/c14-11-4-1-3-9-7-10(8-16-13(9)11)12-5-2-6-15-12/h1,3-4,10,12,15H,2,5-8H2
InChIKeyZUBDUWVQRZGZTJ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.64
Rot. Bonds1

About 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine

2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine (PubChem CID 105499907) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
PubChem CID105499907
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
SMILESClc1cccc2c1OCC(C1CCCN1)C2
InChIInChI=1S/C13H16ClNO/c14-11-4-1-3-9-7-10(8-16-13(9)11)12-5-2-6-15-12/h1,3-4,10,12,15H,2,5-8H2
InChIKeyZUBDUWVQRZGZTJ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
CID 105477601
(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 82398520
(2S)-2-(9-methyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)pyrrolidine
CID 175052060
2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
CID 105497348
(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol
CID 14879705
(1S)-1-[(2R)-pyrrolidin-2-yl]-3,4-dihydro-1H-isochromene-8-carbonitrile
CID 122456499
(1R)-1-pyrrolidin-2-yl-3,4-dihydro-1H-isochromene-8-carbonitrile
CID 122456582
3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257582
(4aS,7aS)-6-[(2,6-dichlorophenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113346114
2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 63257325
2-[(1R)-6-chloro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456666
(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol
CID 14151587

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
The IUPAC name of 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine (CID 105499907) is 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine.
What is the SMILES notation for 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
The canonical SMILES for 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine is Clc1cccc2c1OCC(C1CCCN1)C2.
What is the InChIKey of 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
The InChIKey is ZUBDUWVQRZGZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-4-1-3-9-7-10(8-16-13(9)11)12-5-2-6-15-12/h1,3-4,10,12,15H,2,5-8H2.
What are the key properties of 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine?
2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine has a molecular weight of 237.73 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine is sourced from PubChem (CID 105499907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).