4-methylcyclohepta-1,6-diene-1-carboxamide

C9H13NO — CID 144921017

IUPAC4-methylcyclohepta-1,6-diene-1-carboxamide
SMILESCC1CC=CC(C(N)=O)=CC1
InChIInChI=1S/C9H13NO/c1-7-3-2-4-8(6-5-7)9(10)11/h2,4,6-7H,3,5H2,1H3,(H2,10,11)
InChIKeyCZZHPCANZPXWRV-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.38
Rot. Bonds1

About 4-methylcyclohepta-1,6-diene-1-carboxamide

4-methylcyclohepta-1,6-diene-1-carboxamide (PubChem CID 144921017) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methylcyclohepta-1,6-diene-1-carboxamide.

Molecular Properties

Compound Name4-methylcyclohepta-1,6-diene-1-carboxamide
PubChem CID144921017
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-methylcyclohepta-1,6-diene-1-carboxamide
SMILESCC1CC=CC(C(N)=O)=CC1
InChIInChI=1S/C9H13NO/c1-7-3-2-4-8(6-5-7)9(10)11/h2,4,6-7H,3,5H2,1H3,(H2,10,11)
InChIKeyCZZHPCANZPXWRV-UHFFFAOYSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcyclohepta-1,6-dien-1-yl)-2-(6-methyl-2-pyridinyl)ethanone
CID 142169119
[(6R)-3-carbamoyl-6-methylcyclohexa-1,3-dien-1-yl]boronic acid
CID 89383473
3-phenylcyclohexa-1,5-diene-1-carboxamide
CID 66830151
4-phenylcyclohexa-1,5-diene-1-carboxamide
CID 22238857
(3E,5Z,8Z)-7-methyl-2,7-dihydro-1H-azonine-4-carboxamide
CID 143183825
2-tert-butyl-6-methylcyclohexa-1,3-diene-1-carboxamide
CID 155115230
cyclohepta-1,3,6-triene-1-carboxamide;ethane
CID 143923802
4-sulfanylidenecyclohexa-1,5-diene-1-carboxamide
CID 88814535
1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide
CID 53446705
4-methylcyclopentene;oxophosphane
CID 175055525
4,6,6-trimethylcyclooctene-1-carboxamide
CID 163578465
2H-thiopyran-4-carboxamide
CID 54388701

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohepta-1,6-diene-1-carboxamide?
The IUPAC name of 4-methylcyclohepta-1,6-diene-1-carboxamide (CID 144921017) is 4-methylcyclohepta-1,6-diene-1-carboxamide.
What is the SMILES notation for 4-methylcyclohepta-1,6-diene-1-carboxamide?
The canonical SMILES for 4-methylcyclohepta-1,6-diene-1-carboxamide is CC1CC=CC(C(N)=O)=CC1.
What is the InChIKey of 4-methylcyclohepta-1,6-diene-1-carboxamide?
The InChIKey is CZZHPCANZPXWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-3-2-4-8(6-5-7)9(10)11/h2,4,6-7H,3,5H2,1H3,(H2,10,11).
What are the key properties of 4-methylcyclohepta-1,6-diene-1-carboxamide?
4-methylcyclohepta-1,6-diene-1-carboxamide has a molecular weight of 151.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohepta-1,6-diene-1-carboxamide is sourced from PubChem (CID 144921017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).