[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol

C11H15ClN2O — CID 115035883

IUPAC[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
SMILESNC1(CO)CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H15ClN2O/c12-9-1-3-10(4-2-9)14-6-5-11(13,7-14)8-15/h1-4,15H,5-8,13H2
InChIKeyPTXSZUKRWONSOM-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.24
Rot. Bonds2

About [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol

[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 115035883) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
PubChem CID115035883
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
SMILESNC1(CO)CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H15ClN2O/c12-9-1-3-10(4-2-9)14-6-5-11(13,7-14)8-15/h1-4,15H,5-8,13H2
InChIKeyPTXSZUKRWONSOM-UHFFFAOYSA-N
XLogP1.24
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol (CID 115035883) is [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol is NC1(CO)CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is PTXSZUKRWONSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-9-1-3-10(4-2-9)14-6-5-11(13,7-14)8-15/h1-4,15H,5-8,13H2.
What are the key properties of [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol?
[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 226.71 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 115035883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).