1-amino-2H-naphthalene-1,4-diol

C10H11NO2 — CID 70389120

IUPAC1-amino-2H-naphthalene-1,4-diol
SMILESNC1(O)CC=C(O)c2ccccc21
InChIInChI=1S/C10H11NO2/c11-10(13)6-5-9(12)7-3-1-2-4-8(7)10/h1-5,12-13H,6,11H2
InChIKeyWPKLWERIVVFKRU-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.09
Rot. Bonds

About 1-amino-2H-naphthalene-1,4-diol

1-amino-2H-naphthalene-1,4-diol (PubChem CID 70389120) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-amino-2H-naphthalene-1,4-diol.

Molecular Properties

Compound Name1-amino-2H-naphthalene-1,4-diol
PubChem CID70389120
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-amino-2H-naphthalene-1,4-diol
SMILESNC1(O)CC=C(O)c2ccccc21
InChIInChI=1S/C10H11NO2/c11-10(13)6-5-9(12)7-3-1-2-4-8(7)10/h1-5,12-13H,6,11H2
InChIKeyWPKLWERIVVFKRU-UHFFFAOYSA-N
XLogP1.09
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-amino-4-hydroxy-3H-naphthalene-1-sulfonic acid
CID 88523517
(9-aminofluoren-9-yl)methanol
CID 163585930
2-(4,4-diaminocyclohexa-1,5-dien-1-yl)phenol
CID 174821956
1,4-dihydroxy-9,10-dioxo-2H-anthracene-1-sulfonic acid
CID 23616683
1,4-dihydroxy-1-methyl-2H-naphthalene-2-carboxylate
CID 18402685
9,10-diethynylanthracene-9,10-diol
CID 139175436
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
methane;9-methylfluoren-9-ol
CID 160708378
3,4,4-trimethyl-3H-naphthalen-1-ol
CID 91665401
9-(2-bromoethynyl)fluoren-9-ol
CID 10968066
1-(2-phenylphenyl)cyclopropan-1-ol
CID 117300652
8-hydroxy-8-prop-1-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14813467

Frequently Asked Questions

What is the IUPAC name of 1-amino-2H-naphthalene-1,4-diol?
The IUPAC name of 1-amino-2H-naphthalene-1,4-diol (CID 70389120) is 1-amino-2H-naphthalene-1,4-diol.
What is the SMILES notation for 1-amino-2H-naphthalene-1,4-diol?
The canonical SMILES for 1-amino-2H-naphthalene-1,4-diol is NC1(O)CC=C(O)c2ccccc21.
What is the InChIKey of 1-amino-2H-naphthalene-1,4-diol?
The InChIKey is WPKLWERIVVFKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-10(13)6-5-9(12)7-3-1-2-4-8(7)10/h1-5,12-13H,6,11H2.
What are the key properties of 1-amino-2H-naphthalene-1,4-diol?
1-amino-2H-naphthalene-1,4-diol has a molecular weight of 177.20 g/mol, XLogP of 1.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2H-naphthalene-1,4-diol is sourced from PubChem (CID 70389120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).