2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide

C9H13NO — CID 118218247

IUPAC2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
SMILESC[C@H]1C=C(CC(N)=O)C=CC1
InChIInChI=1S/C9H13NO/c1-7-3-2-4-8(5-7)6-9(10)11/h2,4-5,7H,3,6H2,1H3,(H2,10,11)/t7-/m1/s1
InChIKeyAAUDBLVULOINDB-SSDOTTSWSA-N
MW151.21 g/mol
LogP1.38
Rot. Bonds2

About 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide

2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide (PubChem CID 118218247) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
PubChem CID118218247
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
SMILESC[C@H]1C=C(CC(N)=O)C=CC1
InChIInChI=1S/C9H13NO/c1-7-3-2-4-8(5-7)6-9(10)11/h2,4-5,7H,3,6H2,1H3,(H2,10,11)/t7-/m1/s1
InChIKeyAAUDBLVULOINDB-SSDOTTSWSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide (CID 118218247) is 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide is C[C@H]1C=C(CC(N)=O)C=CC1.
What is the InChIKey of 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide?
The InChIKey is AAUDBLVULOINDB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-3-2-4-8(5-7)6-9(10)11/h2,4-5,7H,3,6H2,1H3,(H2,10,11)/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide?
2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide has a molecular weight of 151.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide is sourced from PubChem (CID 118218247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).