4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide

C11H19N3O — CID 79207695

IUPAC4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
SMILESCN1CCC(NC(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C11H19N3O/c1-14-5-4-10(7-14)13-11(15)8-2-3-9(12)6-8/h2-3,8-10H,4-7,12H2,1H3,(H,13,15)
InChIKeyXMWCOJINGZNHJD-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.29
Rot. Bonds2

About 4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207695) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
PubChem CID79207695
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
SMILESCN1CCC(NC(=O)C2C=CC(N)C2)C1
InChIInChI=1S/C11H19N3O/c1-14-5-4-10(7-14)13-11(15)8-2-3-9(12)6-8/h2-3,8-10H,4-7,12H2,1H3,(H,13,15)
InChIKeyXMWCOJINGZNHJD-UHFFFAOYSA-N
XLogP-0.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.29
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-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide (CID 79207695) is 4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide is CN1CCC(NC(=O)C2C=CC(N)C2)C1.
What is the InChIKey of 4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is XMWCOJINGZNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-5-4-10(7-14)13-11(15)8-2-3-9(12)6-8/h2-3,8-10H,4-7,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).