3-amino-3,4-dihydro-1H-naphthalen-2-one

C10H11NO — CID 10130111

IUPAC3-amino-3,4-dihydro-1H-naphthalen-2-one
SMILESNC1Cc2ccccc2CC1=O
InChIInChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
InChIKeyYGVHQWKMQXSMHD-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.68
Rot. Bonds

About 3-amino-3,4-dihydro-1H-naphthalen-2-one

3-amino-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 10130111) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-amino-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name3-amino-3,4-dihydro-1H-naphthalen-2-one
PubChem CID10130111
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-amino-3,4-dihydro-1H-naphthalen-2-one
SMILESNC1Cc2ccccc2CC1=O
InChIInChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
InChIKeyYGVHQWKMQXSMHD-UHFFFAOYSA-N
XLogP0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-3,4-dihydro-1H-naphthalen-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 3-amino-3,4-dihydro-1H-naphthalen-2-one (CID 10130111) is 3-amino-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 3-amino-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 3-amino-3,4-dihydro-1H-naphthalen-2-one is NC1Cc2ccccc2CC1=O.
What is the InChIKey of 3-amino-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is YGVHQWKMQXSMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2.
What are the key properties of 3-amino-3,4-dihydro-1H-naphthalen-2-one?
3-amino-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 161.20 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 10130111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).