3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide

C9H15N3O — CID 130666198

IUPAC3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C9H15N3O/c10-9(13)12-6-3-8(7-12)11-4-1-2-5-11/h1-2,8H,3-7H2,(H2,10,13)
InChIKeyVCEKPIHSGOHJAF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.01
Rot. Bonds1

About 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide

3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 130666198) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
PubChem CID130666198
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C9H15N3O/c10-9(13)12-6-3-8(7-12)11-4-1-2-5-11/h1-2,8H,3-7H2,(H2,10,13)
InChIKeyVCEKPIHSGOHJAF-UHFFFAOYSA-N
XLogP0.01
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
CID 111470896
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98203475
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 173100339
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide
CID 98202993
3-(2,5-dihydropyrrol-1-yl)-N-(5-hydroxy-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
CID 71922247
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
N-[2-[[C-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111998188
N-[2-(4-cyanophenoxy)ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71867864
4-sulfanylpiperidine-1-carboxamide
CID 165469353

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide (CID 130666198) is 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide is NC(=O)N1CCC(N2CC=CC2)C1.
What is the InChIKey of 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is VCEKPIHSGOHJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9(13)12-6-3-8(7-12)11-4-1-2-5-11/h1-2,8H,3-7H2,(H2,10,13).
What are the key properties of 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 130666198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).