3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide

C10H15NO2 — CID 143498323

IUPAC3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CC(C(=O)N(C)C)CC=C1
InChIInChI=1S/C10H15NO2/c1-11(2)10(12)8-5-4-6-9(7-8)13-3/h4,6-8H,5H2,1-3H3
InChIKeyITEMDEUKTHQWAC-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.18
Rot. Bonds2

About 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide

3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 143498323) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide
PubChem CID143498323
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CC(C(=O)N(C)C)CC=C1
InChIInChI=1S/C10H15NO2/c1-11(2)10(12)8-5-4-6-9(7-8)13-3/h4,6-8H,5H2,1-3H3
InChIKeyITEMDEUKTHQWAC-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide (CID 143498323) is 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide is COC1=CC(C(=O)N(C)C)CC=C1.
What is the InChIKey of 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is ITEMDEUKTHQWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11(2)10(12)8-5-4-6-9(7-8)13-3/h4,6-8H,5H2,1-3H3.
What are the key properties of 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide?
3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 143498323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).