1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol

C12H16ClNO — CID 117016836

IUPAC1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-12(2)11(15)6-7-14(12)10-5-3-4-9(13)8-10/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyYYSDZVMJEIZHJA-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.69
Rot. Bonds1

About 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol

1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol (PubChem CID 117016836) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
PubChem CID117016836
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-12(2)11(15)6-7-14(12)10-5-3-4-9(13)8-10/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyYYSDZVMJEIZHJA-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020209
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016879
1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018128
1-(3-chlorophenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
CID 117018414
1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol
CID 117019064
1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018228
methyl 1-(4-chlorophenyl)-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022975
methyl 3-(3-cyano-2,2-dimethylpyrrolidin-1-yl)benzoate
CID 117017237
2-[1-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017368
8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octane
CID 22337597
(4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 58238342
2-[1-(3-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017376

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol (CID 117016836) is 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol is CC1(C)C(O)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol?
The InChIKey is YYSDZVMJEIZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2)11(15)6-7-14(12)10-5-3-4-9(13)8-10/h3-5,8,11,15H,6-7H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol?
1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol has a molecular weight of 225.72 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 117016836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).