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

C11H17NO — CID 142459410

IUPACN-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC1=CCCC=C1
InChIInChI=1S/C11H17NO/c1-10(13)12(2)9-8-11-6-4-3-5-7-11/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyDSUOQLRULNXPBF-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds3

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

N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide (PubChem CID 142459410) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide
PubChem CID142459410
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC1=CCCC=C1
InChIInChI=1S/C11H17NO/c1-10(13)12(2)9-8-11-6-4-3-5-7-11/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyDSUOQLRULNXPBF-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide?
The IUPAC name of N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide (CID 142459410) is N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide?
The canonical SMILES for N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide is CC(=O)N(C)CCC1=CCCC=C1.
What is the InChIKey of N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide?
The InChIKey is DSUOQLRULNXPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10(13)12(2)9-8-11-6-4-3-5-7-11/h4,6-7H,3,5,8-9H2,1-2H3.
What are the key properties of N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide?
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide has a molecular weight of 179.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide is sourced from PubChem (CID 142459410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).