1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one

C21H21NO3 — CID 11595198

IUPAC1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(CC3CC3)C2)c2c1oc1ccccc12
InChIInChI=1S/C21H21NO3/c1-24-18-9-8-15(14-10-19(23)22(12-14)11-13-6-7-13)20-16-4-2-3-5-17(16)25-21(18)20/h2-5,8-9,13-14H,6-7,10-12H2,1H3
InChIKeyQWRXYILHLDOZGJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.32
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one

1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one (PubChem CID 11595198) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
PubChem CID11595198
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(CC3CC3)C2)c2c1oc1ccccc12
InChIInChI=1S/C21H21NO3/c1-24-18-9-8-15(14-10-19(23)22(12-14)11-13-6-7-13)20-16-4-2-3-5-17(16)25-21(18)20/h2-5,8-9,13-14H,6-7,10-12H2,1H3
InChIKeyQWRXYILHLDOZGJ-UHFFFAOYSA-N
XLogP4.32
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one 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-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one (CID 11595198) is 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one is COc1ccc(C2CC(=O)N(CC3CC3)C2)c2c1oc1ccccc12.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one?
The InChIKey is QWRXYILHLDOZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-24-18-9-8-15(14-10-19(23)22(12-14)11-13-6-7-13)20-16-4-2-3-5-17(16)25-21(18)20/h2-5,8-9,13-14H,6-7,10-12H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one?
1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one has a molecular weight of 335.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 11595198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).