(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol

C13H19NO — CID 111332576

IUPAC(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
SMILESCCC(c1ccccc1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H19NO/c1-2-13(11-6-4-3-5-7-11)14-9-8-12(15)10-14/h3-7,12-13,15H,2,8-10H2,1H3/t12-,13?/m1/s1
InChIKeyZMKABJPEDULFDH-PZORYLMUSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds3

About (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol

(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol (PubChem CID 111332576) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
PubChem CID111332576
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
SMILESCCC(c1ccccc1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H19NO/c1-2-13(11-6-4-3-5-7-11)14-9-8-12(15)10-14/h3-7,12-13,15H,2,8-10H2,1H3/t12-,13?/m1/s1
InChIKeyZMKABJPEDULFDH-PZORYLMUSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol (CID 111332576) is (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol is CCC(c1ccccc1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol?
The InChIKey is ZMKABJPEDULFDH-PZORYLMUSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-13(11-6-4-3-5-7-11)14-9-8-12(15)10-14/h3-7,12-13,15H,2,8-10H2,1H3/t12-,13?/m1/s1.
What are the key properties of (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol?
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-phenylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 111332576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).