3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide

C15H25N3O2 — CID 111470896

IUPAC3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C15H25N3O2/c19-14-5-3-12(4-6-14)16-15(20)18-10-7-13(11-18)17-8-1-2-9-17/h1-2,12-14,19H,3-11H2,(H,16,20)
InChIKeyAXWSLCFBAZHVSL-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.95
Rot. Bonds2

About 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide

3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide (PubChem CID 111470896) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
PubChem CID111470896
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(N2CC=CC2)C1
InChIInChI=1S/C15H25N3O2/c19-14-5-3-12(4-6-14)16-15(20)18-10-7-13(11-18)17-8-1-2-9-17/h1-2,12-14,19H,3-11H2,(H,16,20)
InChIKeyAXWSLCFBAZHVSL-UHFFFAOYSA-N
XLogP0.95
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide (CID 111470896) is 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCC(N2CC=CC2)C1.
What is the InChIKey of 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide?
The InChIKey is AXWSLCFBAZHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c19-14-5-3-12(4-6-14)16-15(20)18-10-7-13(11-18)17-8-1-2-9-17/h1-2,12-14,19H,3-11H2,(H,16,20).
What are the key properties of 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide?
3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyrrol-1-yl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111470896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).