(1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone

C15H22N2O2 — CID 72853407

IUPAC(1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)c2cccn2C2CC2)C[C@]1(C)O
InChIInChI=1S/C15H22N2O2/c1-14(2)9-16(10-15(14,3)19)13(18)12-5-4-8-17(12)11-6-7-11/h4-5,8,11,19H,6-7,9-10H2,1-3H3/t15-/m0/s1
InChIKeyLHXOZAXFLXHVPI-HNNXBMFYSA-N
MW262.35 g/mol
LogP2.06
Rot. Bonds2

About (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone

(1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone (PubChem CID 72853407) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
PubChem CID72853407
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)c2cccn2C2CC2)C[C@]1(C)O
InChIInChI=1S/C15H22N2O2/c1-14(2)9-16(10-15(14,3)19)13(18)12-5-4-8-17(12)11-6-7-11/h4-5,8,11,19H,6-7,9-10H2,1-3H3/t15-/m0/s1
InChIKeyLHXOZAXFLXHVPI-HNNXBMFYSA-N
XLogP2.06
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone 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-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
The IUPAC name of (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone (CID 72853407) is (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone is CC1(C)CN(C(=O)c2cccn2C2CC2)C[C@]1(C)O.
What is the InChIKey of (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
The InChIKey is LHXOZAXFLXHVPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2)9-16(10-15(14,3)19)13(18)12-5-4-8-17(12)11-6-7-11/h4-5,8,11,19H,6-7,9-10H2,1-3H3/t15-/m0/s1.
What are the key properties of (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
(1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpyrrol-2-yl)-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 72853407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).