2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide

C10H15NO2 — CID 142167566

IUPAC2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide
SMILESCNC(=O)COCC1=CCCC=C1
InChIInChI=1S/C10H15NO2/c1-11-10(12)8-13-7-9-5-3-2-4-6-9/h3,5-6H,2,4,7-8H2,1H3,(H,11,12)
InChIKeyAURLPWXXMLTNJG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.03
Rot. Bonds4

About 2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide

2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide (PubChem CID 142167566) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide
PubChem CID142167566
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide
SMILESCNC(=O)COCC1=CCCC=C1
InChIInChI=1S/C10H15NO2/c1-11-10(12)8-13-7-9-5-3-2-4-6-9/h3,5-6H,2,4,7-8H2,1H3,(H,11,12)
InChIKeyAURLPWXXMLTNJG-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.03
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-ylmethoxy)-N-methylacetamide?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide (CID 142167566) is 2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide is CNC(=O)COCC1=CCCC=C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide?
The InChIKey is AURLPWXXMLTNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-10(12)8-13-7-9-5-3-2-4-6-9/h3,5-6H,2,4,7-8H2,1H3,(H,11,12).
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide?
2-(cyclohexa-1,5-dien-1-ylmethoxy)-N-methylacetamide has a molecular weight of 181.23 g/mol, XLogP of 1.03, 4 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-ylmethoxy)-N-methylacetamide is sourced from PubChem (CID 142167566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).