1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide

C9H14N2O — CID 115976513

IUPAC1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C9H14N2O/c10-9(5-6-9)8(12)11-7-3-1-2-4-7/h1-2,7H,3-6,10H2,(H,11,12)
InChIKeyFEMVUIBAASPPOR-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.31
Rot. Bonds2

About 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide

1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide (PubChem CID 115976513) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide
PubChem CID115976513
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C9H14N2O/c10-9(5-6-9)8(12)11-7-3-1-2-4-7/h1-2,7H,3-6,10H2,(H,11,12)
InChIKeyFEMVUIBAASPPOR-UHFFFAOYSA-N
XLogP0.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide (CID 115976513) is 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide is NC1(C(=O)NC2CC=CC2)CC1.
What is the InChIKey of 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide?
The InChIKey is FEMVUIBAASPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-9(5-6-9)8(12)11-7-3-1-2-4-7/h1-2,7H,3-6,10H2,(H,11,12).
What are the key properties of 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide?
1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclopent-3-en-1-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 115976513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).