4-amino-2H-naphthalen-1-one

C10H9NO — CID 140967703

IUPAC4-amino-2H-naphthalen-1-one
SMILESNC1=CCC(=O)c2ccccc21
InChIInChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-5H,6,11H2
InChIKeyAFFQUCQBWYUWJE-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.57
Rot. Bonds

About 4-amino-2H-naphthalen-1-one

4-amino-2H-naphthalen-1-one (PubChem CID 140967703) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-amino-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-amino-2H-naphthalen-1-one
PubChem CID140967703
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4-amino-2H-naphthalen-1-one
SMILESNC1=CCC(=O)c2ccccc21
InChIInChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-5H,6,11H2
InChIKeyAFFQUCQBWYUWJE-UHFFFAOYSA-N
XLogP1.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(15E)-tetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,9,11,13,15,18,20-decaen-15-amine
CID 145340322
4-ethyl-2H-naphthalen-1-one
CID 89331338
2,3-diaminonaphthalene-1,4-dione
CID 4167268
1-amino-3H-indene-4-carbonitrile
CID 146534450
2H-naphthalen-1-one;hydrobromide
CID 21419388
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
CID 158261979
CID 158261979
5H-1-benzazocin-6-one
CID 68704953
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one
CID 121008005
(3-amino-4-oxonaphthalen-1-ylidene)azanium
CID 4868259
3,4-dihydrocyclopenta[a]naphthalen-5-one
CID 22341653

Frequently Asked Questions

What is the IUPAC name of 4-amino-2H-naphthalen-1-one?
The IUPAC name of 4-amino-2H-naphthalen-1-one (CID 140967703) is 4-amino-2H-naphthalen-1-one.
What is the SMILES notation for 4-amino-2H-naphthalen-1-one?
The canonical SMILES for 4-amino-2H-naphthalen-1-one is NC1=CCC(=O)c2ccccc21.
What is the InChIKey of 4-amino-2H-naphthalen-1-one?
The InChIKey is AFFQUCQBWYUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-5H,6,11H2.
What are the key properties of 4-amino-2H-naphthalen-1-one?
4-amino-2H-naphthalen-1-one has a molecular weight of 159.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2H-naphthalen-1-one is sourced from PubChem (CID 140967703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).