1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one

C10H10N2O — CID 151643396

IUPAC1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
SMILESNC1C2NC(=O)c3ccccc3C12
InChIInChI=1S/C10H10N2O/c11-8-7-5-3-1-2-4-6(5)10(13)12-9(7)8/h1-4,7-9H,11H2,(H,12,13)
InChIKeyQSZRGSOSCHGEJE-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.22
Rot. Bonds

About 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one

1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one (PubChem CID 151643396) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one.

Molecular Properties

Compound Name1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
PubChem CID151643396
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
SMILESNC1C2NC(=O)c3ccccc3C12
InChIInChI=1S/C10H10N2O/c11-8-7-5-3-1-2-4-6(5)10(13)12-9(7)8/h1-4,7-9H,11H2,(H,12,13)
InChIKeyQSZRGSOSCHGEJE-UHFFFAOYSA-N
XLogP0.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one
CID 153205873
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 82274917
3-(hydroxymethyl)-2,3-dihydroisoindol-1-one
CID 119088605
methyl (1S)-3-oxo-1,2-dihydroisoindole-1-carboxylate
CID 97359010
3-cyclopentyl-2,3-dihydroisoindol-1-one
CID 84733844
2-amino-1-oxo-2,3-dihydroquinazolin-1-ium-4-one
CID 6332269
3-acetyl-2,3-dihydroisoindol-1-one
CID 58837111
3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one
CID 13319457
(2S)-2-amino-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid
CID 122401579

Frequently Asked Questions

What is the IUPAC name of 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one?
The IUPAC name of 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one (CID 151643396) is 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one.
What is the SMILES notation for 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one?
The canonical SMILES for 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one is NC1C2NC(=O)c3ccccc3C12.
What is the InChIKey of 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one?
The InChIKey is QSZRGSOSCHGEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-8-7-5-3-1-2-4-6(5)10(13)12-9(7)8/h1-4,7-9H,11H2,(H,12,13).
What are the key properties of 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one?
1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one has a molecular weight of 174.20 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one is sourced from PubChem (CID 151643396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).