6-amino-4a,8a-dihydro-1H-quinolin-2-one

C9H10N2O — CID 163515053

IUPAC6-amino-4a,8a-dihydro-1H-quinolin-2-one
SMILESNC1=CC2C=CC(=O)NC2C=C1
InChIInChI=1S/C9H10N2O/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-6,8H,10H2,(H,11,12)
InChIKeyDFYXPODQFIGUQB-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.07
Rot. Bonds

About 6-amino-4a,8a-dihydro-1H-quinolin-2-one

6-amino-4a,8a-dihydro-1H-quinolin-2-one (PubChem CID 163515053) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-amino-4a,8a-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-4a,8a-dihydro-1H-quinolin-2-one
PubChem CID163515053
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-amino-4a,8a-dihydro-1H-quinolin-2-one
SMILESNC1=CC2C=CC(=O)NC2C=C1
InChIInChI=1S/C9H10N2O/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-6,8H,10H2,(H,11,12)
InChIKeyDFYXPODQFIGUQB-UHFFFAOYSA-N
XLogP0.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4a,8a-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-4a,8a-dihydro-1H-quinolin-2-one (CID 163515053) is 6-amino-4a,8a-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-4a,8a-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-4a,8a-dihydro-1H-quinolin-2-one is NC1=CC2C=CC(=O)NC2C=C1.
What is the InChIKey of 6-amino-4a,8a-dihydro-1H-quinolin-2-one?
The InChIKey is DFYXPODQFIGUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-6,8H,10H2,(H,11,12).
What are the key properties of 6-amino-4a,8a-dihydro-1H-quinolin-2-one?
6-amino-4a,8a-dihydro-1H-quinolin-2-one has a molecular weight of 162.19 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4a,8a-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 163515053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).