1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone

C11H14N2O2 — CID 82023757

IUPAC1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone
SMILESCOc1ccc2cc1N(C(C)=O)CC2N
InChIInChI=1S/C11H14N2O2/c1-7(14)13-6-9(12)8-3-4-11(15-2)10(13)5-8/h3-5,9H,6,12H2,1-2H3
InChIKeyJBJGPGXNLUGAID-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.06
Rot. Bonds1

About 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone

1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone (PubChem CID 82023757) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone
PubChem CID82023757
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone
SMILESCOc1ccc2cc1N(C(C)=O)CC2N
InChIInChI=1S/C11H14N2O2/c1-7(14)13-6-9(12)8-3-4-11(15-2)10(13)5-8/h3-5,9H,6,12H2,1-2H3
InChIKeyJBJGPGXNLUGAID-UHFFFAOYSA-N
XLogP1.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone
CID 83754353
1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone
CID 82625034
N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide
CID 23283706
1-[(2S,3R)-3-[(2R,3S)-1-acetyl-2-(3,4-dimethoxyphenyl)-2,3-dihydroindol-3-yl]-2-(3,4-dimethoxyphenyl)-2,3-dihydroindol-1-yl]ethanone
CID 101366783
(3S,4R)-4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124858013
1-[(3R,4R)-3-(2-chloro-3-methoxyphenyl)-4-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 70088907
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
tert-butyl (3R,4S)-3-amino-4-(3-fluoro-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 170905133
tert-butyl (3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 95566662
cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 95002452
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] (2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 8509480
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone?
The IUPAC name of 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone (CID 82023757) is 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone is COc1ccc2cc1N(C(C)=O)CC2N.
What is the InChIKey of 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone?
The InChIKey is JBJGPGXNLUGAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(14)13-6-9(12)8-3-4-11(15-2)10(13)5-8/h3-5,9H,6,12H2,1-2H3.
What are the key properties of 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone?
1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone has a molecular weight of 206.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-8-methoxy-2-azabicyclo[3.3.1]nona-1(8),5(9),6-trien-2-yl)ethanone is sourced from PubChem (CID 82023757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).