2,5-dimethylcyclopenta-2,4-diene-1-carboxamide

C8H11NO — CID 101214763

IUPAC2,5-dimethylcyclopenta-2,4-diene-1-carboxamide
SMILESCC1=CC=C(C)C1C(N)=O
InChIInChI=1S/C8H11NO/c1-5-3-4-6(2)7(5)8(9)10/h3-4,7H,1-2H3,(H2,9,10)
InChIKeyMOKLGTCCHIMLAP-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.99
Rot. Bonds1

About 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide

2,5-dimethylcyclopenta-2,4-diene-1-carboxamide (PubChem CID 101214763) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name2,5-dimethylcyclopenta-2,4-diene-1-carboxamide
PubChem CID101214763
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,5-dimethylcyclopenta-2,4-diene-1-carboxamide
SMILESCC1=CC=C(C)C1C(N)=O
InChIInChI=1S/C8H11NO/c1-5-3-4-6(2)7(5)8(9)10/h3-4,7H,1-2H3,(H2,9,10)
InChIKeyMOKLGTCCHIMLAP-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide (CID 101214763) is 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide is CC1=CC=C(C)C1C(N)=O.
What is the InChIKey of 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide?
The InChIKey is MOKLGTCCHIMLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-3-4-6(2)7(5)8(9)10/h3-4,7H,1-2H3,(H2,9,10).
What are the key properties of 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide?
2,5-dimethylcyclopenta-2,4-diene-1-carboxamide has a molecular weight of 137.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylcyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 101214763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).