1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol

C11H14ClNO — CID 23762367

IUPAC1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2
InChIKeyNVBPYTSZAGPUJC-UHFFFAOYSA-N
MW211.69 g/mol
LogP1.91
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol

1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 23762367) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
PubChem CID23762367
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2
InChIKeyNVBPYTSZAGPUJC-UHFFFAOYSA-N
XLogP1.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol (CID 23762367) is 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol is OC1CCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is NVBPYTSZAGPUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol?
1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 211.69 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 23762367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).