cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone

C20H26N2O2 — CID 110202813

IUPACcyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1C[C@@H](COCC2CC2)[C@H](c2ccncc2)C1
InChIInChI=1S/C20H26N2O2/c23-20(17-3-1-2-4-17)22-11-18(14-24-13-15-5-6-15)19(12-22)16-7-9-21-10-8-16/h1-2,7-10,15,17-19H,3-6,11-14H2/t18-,19-/m0/s1
InChIKeySSJDEUMQILUBJP-OALUTQOASA-N
MW326.44 g/mol
LogP3.02
Rot. Bonds6

About cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone

cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 110202813) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
PubChem CID110202813
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Namecyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1C[C@@H](COCC2CC2)[C@H](c2ccncc2)C1
InChIInChI=1S/C20H26N2O2/c23-20(17-3-1-2-4-17)22-11-18(14-24-13-15-5-6-15)19(12-22)16-7-9-21-10-8-16/h1-2,7-10,15,17-19H,3-6,11-14H2/t18-,19-/m0/s1
InChIKeySSJDEUMQILUBJP-OALUTQOASA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-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 cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone (CID 110202813) is cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone is O=C(C1CC=CC1)N1C[C@@H](COCC2CC2)[C@H](c2ccncc2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is SSJDEUMQILUBJP-OALUTQOASA-N. The full InChI is InChI=1S/C20H26N2O2/c23-20(17-3-1-2-4-17)22-11-18(14-24-13-15-5-6-15)19(12-22)16-7-9-21-10-8-16/h1-2,7-10,15,17-19H,3-6,11-14H2/t18-,19-/m0/s1.
What are the key properties of cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(3S,4R)-3-(cyclopropylmethoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 110202813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).