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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Related Compounds

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CID 72726621
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2,6-dioxocyclohexane-1-carboxamide
CID 44571229
10-methyl-9H-acridine-9-carboxamide
CID 118456170
4-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide
CID 19771285
5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine
CID 89088056
2-oxo-4-propan-2-ylideneoxetane-3-carboxamide
CID 57094312
5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
CID 138614470
dioxirane-3-carboxamide
CID 101107076
1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one
CID 22003282
6-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 151206802
4-amino-2,6-dioxo-3H-pyridine-3-carboxamide
CID 73183367

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).