4-amino-N-pentylcyclopentene-1-carboxamide

C11H20N2O — CID 71746981

IUPAC4-amino-N-pentylcyclopentene-1-carboxamide
SMILESCCCCCNC(=O)C1=CCC(N)C1
InChIInChI=1S/C11H20N2O/c1-2-3-4-7-13-11(14)9-5-6-10(12)8-9/h5,10H,2-4,6-8,12H2,1H3,(H,13,14)
InChIKeyBGTABRLZFXKCOS-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.34
Rot. Bonds5

About 4-amino-N-pentylcyclopentene-1-carboxamide

4-amino-N-pentylcyclopentene-1-carboxamide (PubChem CID 71746981) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-amino-N-pentylcyclopentene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-pentylcyclopentene-1-carboxamide
PubChem CID71746981
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-amino-N-pentylcyclopentene-1-carboxamide
SMILESCCCCCNC(=O)C1=CCC(N)C1
InChIInChI=1S/C11H20N2O/c1-2-3-4-7-13-11(14)9-5-6-10(12)8-9/h5,10H,2-4,6-8,12H2,1H3,(H,13,14)
InChIKeyBGTABRLZFXKCOS-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentylcyclopentene-1-carboxamide?
The IUPAC name of 4-amino-N-pentylcyclopentene-1-carboxamide (CID 71746981) is 4-amino-N-pentylcyclopentene-1-carboxamide.
What is the SMILES notation for 4-amino-N-pentylcyclopentene-1-carboxamide?
The canonical SMILES for 4-amino-N-pentylcyclopentene-1-carboxamide is CCCCCNC(=O)C1=CCC(N)C1.
What is the InChIKey of 4-amino-N-pentylcyclopentene-1-carboxamide?
The InChIKey is BGTABRLZFXKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-4-7-13-11(14)9-5-6-10(12)8-9/h5,10H,2-4,6-8,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-pentylcyclopentene-1-carboxamide?
4-amino-N-pentylcyclopentene-1-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentylcyclopentene-1-carboxamide is sourced from PubChem (CID 71746981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).