1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea

C17H21N3O2 — CID 45214177

IUPAC1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H21N3O2/c1-2-7-18-17(22)19-14-10-16(21)20(11-14)15-8-12-5-3-4-6-13(12)9-15/h2-6,14-15H,1,7-11H2,(H2,18,19,22)
InChIKeyWBYWEOPLHQGTLQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.24
Rot. Bonds4

About 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea

1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea (PubChem CID 45214177) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea
PubChem CID45214177
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CC(=O)N(C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H21N3O2/c1-2-7-18-17(22)19-14-10-16(21)20(11-14)15-8-12-5-3-4-6-13(12)9-15/h2-6,14-15H,1,7-11H2,(H2,18,19,22)
InChIKeyWBYWEOPLHQGTLQ-UHFFFAOYSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea with MolForge

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

Launch Full Analysis

Related Compounds

3-acetamido-N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]propanamide
CID 45208938
methyl 4-[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 45240004
methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 42378459
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-ethylbenzamide
CID 56888956
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 45187421
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 96506763
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 26315426
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 26315427
4-[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122005360
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45188478
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 25381252

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea (CID 45214177) is 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea is C=CCNC(=O)NC1CC(=O)N(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea?
The InChIKey is WBYWEOPLHQGTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-7-18-17(22)19-14-10-16(21)20(11-14)15-8-12-5-3-4-6-13(12)9-15/h2-6,14-15H,1,7-11H2,(H2,18,19,22).
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea?
1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea has a molecular weight of 299.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea is sourced from PubChem (CID 45214177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).