2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol

C13H16ClNO — CID 142588563

IUPAC2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C13H16ClNO/c1-13(2,16)12-8-7-11(15-12)9-3-5-10(14)6-4-9/h3-6,12,16H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyUAZIQSFEGKQABK-GFCCVEGCSA-N
MW237.73 g/mol
LogP3.06
Rot. Bonds2

About 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol

2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol (PubChem CID 142588563) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
PubChem CID142588563
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C13H16ClNO/c1-13(2,16)12-8-7-11(15-12)9-3-5-10(14)6-4-9/h3-6,12,16H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyUAZIQSFEGKQABK-GFCCVEGCSA-N
XLogP3.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloro-N-methylbenzimidoyl)cyclopentanol
CID 13086940
1-[C-(2-chlorophenyl)-N-(trideuteriomethyl)carbonimidoyl]cyclopentan-1-ol
CID 57987822
1-[C-(2-chlorophenyl)-N-(trideuteriomethyl)carbonimidoyl]-2,2,3,3,4,4,5,5-octadeuteriocyclopentan-1-ol
CID 57987827
Cyclopentanol, 1-((2-chlorophenyl)(methylimino)methyl)-, hydrochloride (1:1)
CID 13086941
(2S,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 18648354
(2R,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 18648355
(2R,3S)-5-(4-chlorophenyl)-2,3-bis(trifluoromethyl)-3,4-dihydropyrrol-2-ol
CID 18648356
5-(2-Chlorophenyl)-2,3-bis(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 19103182
2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588463
2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588525
2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588567
2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588584

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol (CID 142588563) is 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol is CC(C)(O)[C@H]1CCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The InChIKey is UAZIQSFEGKQABK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-13(2,16)12-8-7-11(15-12)9-3-5-10(14)6-4-9/h3-6,12,16H,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol has a molecular weight of 237.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol is sourced from PubChem (CID 142588563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).