N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide

C9H14N2O — CID 70343405

IUPACN-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=CC(C)(N)C1
InChIInChI=1S/C9H14N2O/c1-7(12)11-8-4-3-5-9(2,10)6-8/h3-5H,6,10H2,1-2H3,(H,11,12)
InChIKeyRHTIJJWJCDOPOO-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.68
Rot. Bonds1

About N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide

N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 70343405) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide
PubChem CID70343405
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=CC(C)(N)C1
InChIInChI=1S/C9H14N2O/c1-7(12)11-8-4-3-5-9(2,10)6-8/h3-5H,6,10H2,1-2H3,(H,11,12)
InChIKeyRHTIJJWJCDOPOO-UHFFFAOYSA-N
XLogP0.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide (CID 70343405) is N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide is CC(=O)NC1=CC=CC(C)(N)C1.
What is the InChIKey of N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is RHTIJJWJCDOPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(12)11-8-4-3-5-9(2,10)6-8/h3-5H,6,10H2,1-2H3,(H,11,12).
What are the key properties of N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide?
N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 166.22 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 70343405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).