1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone

C9H13NO — CID 142139408

IUPAC1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CC(N)C1C
InChIInChI=1S/C9H13NO/c1-6-8(7(2)11)4-3-5-9(6)10/h3-6,9H,10H2,1-2H3
InChIKeyQXKZAEVEOMJZAM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.03
Rot. Bonds1

About 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone

1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone (PubChem CID 142139408) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone
PubChem CID142139408
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CC(N)C1C
InChIInChI=1S/C9H13NO/c1-6-8(7(2)11)4-3-5-9(6)10/h3-6,9H,10H2,1-2H3
InChIKeyQXKZAEVEOMJZAM-UHFFFAOYSA-N
XLogP1.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dexamone
CID 129718940
1-(6-Amino-3-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-2,2,2-trifluoroethanone
CID 162577767
(R)-5-(3-Aminoprop-1-en-2-yl)-2-methylcyclohex-2-enone
CID 71304824
(Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one
CID 153392420
5-(1-Aminopropyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320233
5-(Aminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320280
5-(1-Aminoethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320390
5-(1-Aminoethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320423
5-amino-4a,5-dihydro-1H-naphthalen-2-one
CID 19902704
8-amino-8,8a-dihydro-4H-naphthalen-1-one
CID 19902708
5-amino-5H-naphthalen-1-one
CID 19902715
2-(2-Aminoethyl)cyclohexa-2,4-dien-1-one
CID 20346715

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone?
The IUPAC name of 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone (CID 142139408) is 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone.
What is the SMILES notation for 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone?
The canonical SMILES for 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone is CC(=O)C1=CC=CC(N)C1C.
What is the InChIKey of 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone?
The InChIKey is QXKZAEVEOMJZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-8(7(2)11)4-3-5-9(6)10/h3-6,9H,10H2,1-2H3.
What are the key properties of 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone?
1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-methylcyclohexa-1,3-dien-1-yl)ethanone is sourced from PubChem (CID 142139408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).