1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol

C16H21NO — CID 116516738

IUPAC1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol
SMILESOC1(C2CC2c2ccccc2)CCN(C2CC2)C1
InChIInChI=1S/C16H21NO/c18-16(8-9-17(11-16)13-6-7-13)15-10-14(15)12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
InChIKeyHHFBBZARJDLXMQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.39
Rot. Bonds3

About 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol

1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol (PubChem CID 116516738) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol
PubChem CID116516738
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol
SMILESOC1(C2CC2c2ccccc2)CCN(C2CC2)C1
InChIInChI=1S/C16H21NO/c18-16(8-9-17(11-16)13-6-7-13)15-10-14(15)12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
InChIKeyHHFBBZARJDLXMQ-UHFFFAOYSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol (CID 116516738) is 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol is OC1(C2CC2c2ccccc2)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol?
The InChIKey is HHFBBZARJDLXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(8-9-17(11-16)13-6-7-13)15-10-14(15)12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2.
What are the key properties of 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol?
1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol has a molecular weight of 243.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-phenylcyclopropyl)pyrrolidin-3-ol is sourced from PubChem (CID 116516738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).