2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide

C10H15NO2 — CID 143874390

IUPAC2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)C1=CCCC=C1
InChIInChI=1S/C10H15NO2/c1-11-10(12)9(13-2)8-6-4-3-5-7-8/h4,6-7,9H,3,5H2,1-2H3,(H,11,12)
InChIKeyKUDAMARCPFAPKG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.02
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide

2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide (PubChem CID 143874390) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide
PubChem CID143874390
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)C1=CCCC=C1
InChIInChI=1S/C10H15NO2/c1-11-10(12)9(13-2)8-6-4-3-5-7-8/h4,6-7,9H,3,5H2,1-2H3,(H,11,12)
InChIKeyKUDAMARCPFAPKG-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide (CID 143874390) is 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide is CNC(=O)C(OC)C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide?
The InChIKey is KUDAMARCPFAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-10(12)9(13-2)8-6-4-3-5-7-8/h4,6-7,9H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide?
2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide has a molecular weight of 181.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-2-methoxy-N-methylacetamide is sourced from PubChem (CID 143874390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).