1,3-dimethylcyclopent-2-ene-1-carboxamide

C8H13NO — CID 15577636

IUPAC1,3-dimethylcyclopent-2-ene-1-carboxamide
SMILESCC1=CC(C)(C(N)=O)CC1
InChIInChI=1S/C8H13NO/c1-6-3-4-8(2,5-6)7(9)10/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyJDUDTFDYQYMFCR-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds1

About 1,3-dimethylcyclopent-2-ene-1-carboxamide

1,3-dimethylcyclopent-2-ene-1-carboxamide (PubChem CID 15577636) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,3-dimethylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name1,3-dimethylcyclopent-2-ene-1-carboxamide
PubChem CID15577636
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1,3-dimethylcyclopent-2-ene-1-carboxamide
SMILESCC1=CC(C)(C(N)=O)CC1
InChIInChI=1S/C8H13NO/c1-6-3-4-8(2,5-6)7(9)10/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyJDUDTFDYQYMFCR-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,3-dimethylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 1,3-dimethylcyclopent-2-ene-1-carboxamide (CID 15577636) is 1,3-dimethylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 1,3-dimethylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 1,3-dimethylcyclopent-2-ene-1-carboxamide is CC1=CC(C)(C(N)=O)CC1.
What is the InChIKey of 1,3-dimethylcyclopent-2-ene-1-carboxamide?
The InChIKey is JDUDTFDYQYMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-4-8(2,5-6)7(9)10/h5H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of 1,3-dimethylcyclopent-2-ene-1-carboxamide?
1,3-dimethylcyclopent-2-ene-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 15577636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).