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

C11H19NO — CID 142173886

IUPACN-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane
SMILESCC.CC(=O)N(C)C1=CCCC=C1
InChIInChI=1S/C9H13NO.C2H6/c1-8(11)10(2)9-6-4-3-5-7-9;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyBWHBIMAKWBIVDZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.72
Rot. Bonds1

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

N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane (PubChem CID 142173886) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane
PubChem CID142173886
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane
SMILESCC.CC(=O)N(C)C1=CCCC=C1
InChIInChI=1S/C9H13NO.C2H6/c1-8(11)10(2)9-6-4-3-5-7-9;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyBWHBIMAKWBIVDZ-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.72
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;ethane?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane (CID 142173886) is N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane is CC.CC(=O)N(C)C1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane?
The InChIKey is BWHBIMAKWBIVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-8(11)10(2)9-6-4-3-5-7-9;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane?
N-cyclohexa-1,5-dien-1-yl-N-methylacetamide;ethane has a molecular weight of 181.28 g/mol, XLogP of 2.72, 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;ethane is sourced from PubChem (CID 142173886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).