11-aminonaphtho[1,2-c]isochromen-6-one

C17H11NO2 — CID 138982155

IUPAC11-aminonaphtho[1,2-c]isochromen-6-one
SMILESNc1cc2ccccc2c2oc(=O)c3ccccc3c12
InChIInChI=1S/C17H11NO2/c18-14-9-10-5-1-2-6-11(10)16-15(14)12-7-3-4-8-13(12)17(19)20-16/h1-9H,18H2
InChIKeyHGUPBZUUJUIAIC-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.68
Rot. Bonds

About 11-aminonaphtho[1,2-c]isochromen-6-one

11-aminonaphtho[1,2-c]isochromen-6-one (PubChem CID 138982155) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 11-aminonaphtho[1,2-c]isochromen-6-one.

Molecular Properties

Compound Name11-aminonaphtho[1,2-c]isochromen-6-one
PubChem CID138982155
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name11-aminonaphtho[1,2-c]isochromen-6-one
SMILESNc1cc2ccccc2c2oc(=O)c3ccccc3c12
InChIInChI=1S/C17H11NO2/c18-14-9-10-5-1-2-6-11(10)16-15(14)12-7-3-4-8-13(12)17(19)20-16/h1-9H,18H2
InChIKeyHGUPBZUUJUIAIC-UHFFFAOYSA-N
XLogP3.68
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-Amino-phenyl)-benzo[h]chromen-4-one
CID 11471732
Dihydrorhodamine 123
CID 105032
1-[(Dimethylamino)methyl]naphthalen-2-yl 4-aminobenzoate
CID 245761
4H-Naphtho(1,2-b)pyran-4-one, 6-amino-2-phenyl-
CID 188112
7-Amino-9-(3-methoxyphenyl)-6-oxobenzo[c]chromene-8-carbonitrile
CID 2817007
2-(3-Amino-phenyl)-benzo[h]chromen-4-one
CID 11185299
2-(2-Amino-phenyl)-benzo[h]chromen-4-one
CID 11737755
7-Amino-6-oxo-9-phenylbenzo[c]chromene-8-carbonitrile
CID 2817115
5-Amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one
CID 71598409
7-Amino-6-oxo-9-phenyl-6H-dibenzo[c,h]chromene-8-carbonitrile
CID 3008425
2-(3,6-diamino-9H-xanthen-9-yl)benzoic acid
CID 57261742
Naphthalene-1,4-diyl bis(4-aminobenzoate)
CID 139641188

Frequently Asked Questions

What is the IUPAC name of 11-aminonaphtho[1,2-c]isochromen-6-one?
The IUPAC name of 11-aminonaphtho[1,2-c]isochromen-6-one (CID 138982155) is 11-aminonaphtho[1,2-c]isochromen-6-one.
What is the SMILES notation for 11-aminonaphtho[1,2-c]isochromen-6-one?
The canonical SMILES for 11-aminonaphtho[1,2-c]isochromen-6-one is Nc1cc2ccccc2c2oc(=O)c3ccccc3c12.
What is the InChIKey of 11-aminonaphtho[1,2-c]isochromen-6-one?
The InChIKey is HGUPBZUUJUIAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c18-14-9-10-5-1-2-6-11(10)16-15(14)12-7-3-4-8-13(12)17(19)20-16/h1-9H,18H2.
What are the key properties of 11-aminonaphtho[1,2-c]isochromen-6-one?
11-aminonaphtho[1,2-c]isochromen-6-one has a molecular weight of 261.28 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-aminonaphtho[1,2-c]isochromen-6-one is sourced from PubChem (CID 138982155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).