4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide

C12H20N2O2 — CID 79207300

IUPAC4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC2CCCOC2)C1
InChIInChI=1S/C12H20N2O2/c13-11-4-3-10(6-11)12(15)14-7-9-2-1-5-16-8-9/h3-4,9-11H,1-2,5-8,13H2,(H,14,15)
InChIKeyRKKCFCXEFVYBLU-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.43
Rot. Bonds3

About 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207300) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207300
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCC2CCCOC2)C1
InChIInChI=1S/C12H20N2O2/c13-11-4-3-10(6-11)12(15)14-7-9-2-1-5-16-8-9/h3-4,9-11H,1-2,5-8,13H2,(H,14,15)
InChIKeyRKKCFCXEFVYBLU-UHFFFAOYSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.43
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 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide (CID 79207300) is 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCC2CCCOC2)C1.
What is the InChIKey of 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is RKKCFCXEFVYBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-11-4-3-10(6-11)12(15)14-7-9-2-1-5-16-8-9/h3-4,9-11H,1-2,5-8,13H2,(H,14,15).
What are the key properties of 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-3-ylmethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).