3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C12H15NO3 — CID 45101397

IUPAC3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCNC(=O)C1Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C12H15NO3/c1-13-12(14)9-4-7-5-10(15-2)11(16-3)6-8(7)9/h5-6,9H,4H2,1-3H3,(H,13,14)
InChIKeyZNTNZZSGPNCART-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.09
Rot. Bonds3

About 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 45101397) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID45101397
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCNC(=O)C1Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C12H15NO3/c1-13-12(14)9-4-7-5-10(15-2)11(16-3)6-8(7)9/h5-6,9H,4H2,1-3H3,(H,13,14)
InChIKeyZNTNZZSGPNCART-UHFFFAOYSA-N
XLogP1.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159610
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
CID 88889516
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 7055845
1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylethenamine;sulfane
CID 158722582
(7S)-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 7055821
4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159611
(1S)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxamide
CID 928677
(1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide
CID 6955029
(1R,3S)-1-[(1S)-1-acetamidoethyl]-6,7-dimethoxy-N,2-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 102080881
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890
methyl (1S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 7450865

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 45101397) is 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CNC(=O)C1Cc2cc(OC)c(OC)cc21.
What is the InChIKey of 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is ZNTNZZSGPNCART-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-12(14)9-4-7-5-10(15-2)11(16-3)6-8(7)9/h5-6,9H,4H2,1-3H3,(H,13,14).
What are the key properties of 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 45101397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).