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

C9H13NO — CID 19703258

IUPACN-cyclohexa-1,5-dien-1-yl-N-methylacetamide
SMILESCC(=O)N(C)C1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-8(11)10(2)9-6-4-3-5-7-9/h4,6-7H,3,5H2,1-2H3
InChIKeyZXMOHWRTISXOLO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.70
Rot. Bonds1

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

N-cyclohexa-1,5-dien-1-yl-N-methylacetamide (PubChem CID 19703258) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-methylacetamide
PubChem CID19703258
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-methylacetamide
SMILESCC(=O)N(C)C1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-8(11)10(2)9-6-4-3-5-7-9/h4,6-7H,3,5H2,1-2H3
InChIKeyZXMOHWRTISXOLO-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-methylacetamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-methylacetamide (CID 19703258) is N-cyclohexa-1,5-dien-1-yl-N-methylacetamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-methylacetamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-methylacetamide is CC(=O)N(C)C1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-methylacetamide?
The InChIKey is ZXMOHWRTISXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(11)10(2)9-6-4-3-5-7-9/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-methylacetamide?
N-cyclohexa-1,5-dien-1-yl-N-methylacetamide has a molecular weight of 151.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-methylacetamide is sourced from PubChem (CID 19703258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).