4-amino-N-propylcyclopentene-1-carboxamide

C9H16N2O — CID 71746980

IUPAC4-amino-N-propylcyclopentene-1-carboxamide
SMILESCCCNC(=O)C1=CCC(N)C1
InChIInChI=1S/C9H16N2O/c1-2-5-11-9(12)7-3-4-8(10)6-7/h3,8H,2,4-6,10H2,1H3,(H,11,12)
InChIKeyZWXMCYZSFUTEOV-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.56
Rot. Bonds3

About 4-amino-N-propylcyclopentene-1-carboxamide

4-amino-N-propylcyclopentene-1-carboxamide (PubChem CID 71746980) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-amino-N-propylcyclopentene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-propylcyclopentene-1-carboxamide
PubChem CID71746980
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-amino-N-propylcyclopentene-1-carboxamide
SMILESCCCNC(=O)C1=CCC(N)C1
InChIInChI=1S/C9H16N2O/c1-2-5-11-9(12)7-3-4-8(10)6-7/h3,8H,2,4-6,10H2,1H3,(H,11,12)
InChIKeyZWXMCYZSFUTEOV-UHFFFAOYSA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propylcyclopentene-1-carboxamide?
The IUPAC name of 4-amino-N-propylcyclopentene-1-carboxamide (CID 71746980) is 4-amino-N-propylcyclopentene-1-carboxamide.
What is the SMILES notation for 4-amino-N-propylcyclopentene-1-carboxamide?
The canonical SMILES for 4-amino-N-propylcyclopentene-1-carboxamide is CCCNC(=O)C1=CCC(N)C1.
What is the InChIKey of 4-amino-N-propylcyclopentene-1-carboxamide?
The InChIKey is ZWXMCYZSFUTEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-5-11-9(12)7-3-4-8(10)6-7/h3,8H,2,4-6,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-N-propylcyclopentene-1-carboxamide?
4-amino-N-propylcyclopentene-1-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propylcyclopentene-1-carboxamide is sourced from PubChem (CID 71746980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).