2,4-dimethylcyclopenta-1,4-diene-1-carboxamide

C8H11NO — CID 153231096

IUPAC2,4-dimethylcyclopenta-1,4-diene-1-carboxamide
SMILESCC1=CC(C(N)=O)=C(C)C1
InChIInChI=1S/C8H11NO/c1-5-3-6(2)7(4-5)8(9)10/h4H,3H2,1-2H3,(H2,9,10)
InChIKeyNWOSELNHTMLVQX-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.14
Rot. Bonds1

About 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide

2,4-dimethylcyclopenta-1,4-diene-1-carboxamide (PubChem CID 153231096) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound Name2,4-dimethylcyclopenta-1,4-diene-1-carboxamide
PubChem CID153231096
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,4-dimethylcyclopenta-1,4-diene-1-carboxamide
SMILESCC1=CC(C(N)=O)=C(C)C1
InChIInChI=1S/C8H11NO/c1-5-3-6(2)7(4-5)8(9)10/h4H,3H2,1-2H3,(H2,9,10)
InChIKeyNWOSELNHTMLVQX-UHFFFAOYSA-N
XLogP1.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide (CID 153231096) is 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide is CC1=CC(C(N)=O)=C(C)C1.
What is the InChIKey of 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide?
The InChIKey is NWOSELNHTMLVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-3-6(2)7(4-5)8(9)10/h4H,3H2,1-2H3,(H2,9,10).
What are the key properties of 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide?
2,4-dimethylcyclopenta-1,4-diene-1-carboxamide has a molecular weight of 137.18 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylcyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 153231096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).