5-amino-4a,5-dihydro-1H-naphthalen-2-one

C10H11NO — CID 19902704

IUPAC5-amino-4a,5-dihydro-1H-naphthalen-2-one
SMILESNC1C=CC=C2CC(=O)C=CC21
InChIInChI=1S/C10H11NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-5,9-10H,6,11H2
InChIKeyPRNCXDRRAPWHPM-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.96
Rot. Bonds

About 5-amino-4a,5-dihydro-1H-naphthalen-2-one

5-amino-4a,5-dihydro-1H-naphthalen-2-one (PubChem CID 19902704) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-amino-4a,5-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5-amino-4a,5-dihydro-1H-naphthalen-2-one
PubChem CID19902704
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-amino-4a,5-dihydro-1H-naphthalen-2-one
SMILESNC1C=CC=C2CC(=O)C=CC21
InChIInChI=1S/C10H11NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-5,9-10H,6,11H2
InChIKeyPRNCXDRRAPWHPM-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4a,5-dihydro-1H-naphthalen-2-one?
The IUPAC name of 5-amino-4a,5-dihydro-1H-naphthalen-2-one (CID 19902704) is 5-amino-4a,5-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 5-amino-4a,5-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 5-amino-4a,5-dihydro-1H-naphthalen-2-one is NC1C=CC=C2CC(=O)C=CC21.
What is the InChIKey of 5-amino-4a,5-dihydro-1H-naphthalen-2-one?
The InChIKey is PRNCXDRRAPWHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-5,9-10H,6,11H2.
What are the key properties of 5-amino-4a,5-dihydro-1H-naphthalen-2-one?
5-amino-4a,5-dihydro-1H-naphthalen-2-one has a molecular weight of 161.20 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4a,5-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 19902704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).