2-(methylamino)naphthalene-1,4,5,8-tetrol

C11H11NO4 — CID 54175633

IUPAC2-(methylamino)naphthalene-1,4,5,8-tetrol
SMILESCNc1cc(O)c2c(O)ccc(O)c2c1O
InChIInChI=1S/C11H11NO4/c1-12-5-4-8(15)9-6(13)2-3-7(14)10(9)11(5)16/h2-4,12-16H,1H3
InChIKeyOYDIQABFOHJCKS-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.70
Rot. Bonds1

About 2-(methylamino)naphthalene-1,4,5,8-tetrol

2-(methylamino)naphthalene-1,4,5,8-tetrol (PubChem CID 54175633) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(methylamino)naphthalene-1,4,5,8-tetrol.

Molecular Properties

Compound Name2-(methylamino)naphthalene-1,4,5,8-tetrol
PubChem CID54175633
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-(methylamino)naphthalene-1,4,5,8-tetrol
SMILESCNc1cc(O)c2c(O)ccc(O)c2c1O
InChIInChI=1S/C11H11NO4/c1-12-5-4-8(15)9-6(13)2-3-7(14)10(9)11(5)16/h2-4,12-16H,1H3
InChIKeyOYDIQABFOHJCKS-UHFFFAOYSA-N
XLogP1.70
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)naphthalene-1,4,5,8-tetrol?
The IUPAC name of 2-(methylamino)naphthalene-1,4,5,8-tetrol (CID 54175633) is 2-(methylamino)naphthalene-1,4,5,8-tetrol.
What is the SMILES notation for 2-(methylamino)naphthalene-1,4,5,8-tetrol?
The canonical SMILES for 2-(methylamino)naphthalene-1,4,5,8-tetrol is CNc1cc(O)c2c(O)ccc(O)c2c1O.
What is the InChIKey of 2-(methylamino)naphthalene-1,4,5,8-tetrol?
The InChIKey is OYDIQABFOHJCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-12-5-4-8(15)9-6(13)2-3-7(14)10(9)11(5)16/h2-4,12-16H,1H3.
What are the key properties of 2-(methylamino)naphthalene-1,4,5,8-tetrol?
2-(methylamino)naphthalene-1,4,5,8-tetrol has a molecular weight of 221.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)naphthalene-1,4,5,8-tetrol is sourced from PubChem (CID 54175633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).