N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide

C9H11NO — CID 163674957

IUPACN-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=C1C=CC(C(=O)NC)=CC1
InChIInChI=1S/C9H11NO/c1-7-3-5-8(6-4-7)9(11)10-2/h3,5-6H,1,4H2,2H3,(H,10,11)
InChIKeyJFVSAEJZAXCWCO-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.17
Rot. Bonds1

About N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide

N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide (PubChem CID 163674957) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
PubChem CID163674957
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=C1C=CC(C(=O)NC)=CC1
InChIInChI=1S/C9H11NO/c1-7-3-5-8(6-4-7)9(11)10-2/h3,5-6H,1,4H2,2H3,(H,10,11)
InChIKeyJFVSAEJZAXCWCO-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylpyridin-2-ol
CID 12354337
Dehydro-gamma-sanshool
CID 5316465
5-Dimethylaminomethyl-1H-pyridin-2-one
CID 14846982
3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 12374555
5-Ethyl-2-pyridinol
CID 19365871
Diethylpyridinone
CID 20040028
3-Propylpyridin-2(1H)-one
CID 20227391
3-(Prop-2-en-1-yl)pyridin-2(1H)-one
CID 21941169
4-ethyl-3-methyl-1H-pyridin-2-one
CID 68038084
Butenylpyridinone
CID 91431881
trans-Propenyl-pyridone
CID 91565194

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide (CID 163674957) is N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide is C=C1C=CC(C(=O)NC)=CC1.
What is the InChIKey of N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The InChIKey is JFVSAEJZAXCWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-3-5-8(6-4-7)9(11)10-2/h3,5-6H,1,4H2,2H3,(H,10,11).
What are the key properties of N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide has a molecular weight of 149.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 163674957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).