(1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol

C13H13NO — CID 45098940

IUPAC(1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol
SMILESCN[C@@H]1c2cccc3cccc(c23)[C@H]1O
InChIInChI=1S/C13H13NO/c1-14-12-9-6-2-4-8-5-3-7-10(11(8)9)13(12)15/h2-7,12-15H,1H3/t12-,13-/m1/s1
InChIKeyWVOMXVUXVVWHQB-CHWSQXEVSA-N
MW199.25 g/mol
LogP2.15
Rot. Bonds1

About (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol

(1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol (PubChem CID 45098940) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol
PubChem CID45098940
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol
SMILESCN[C@@H]1c2cccc3cccc(c23)[C@H]1O
InChIInChI=1S/C13H13NO/c1-14-12-9-6-2-4-8-5-3-7-10(11(8)9)13(12)15/h2-7,12-15H,1H3/t12-,13-/m1/s1
InChIKeyWVOMXVUXVVWHQB-CHWSQXEVSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol?
The IUPAC name of (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol (CID 45098940) is (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol.
What is the SMILES notation for (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol?
The canonical SMILES for (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol is CN[C@@H]1c2cccc3cccc(c23)[C@H]1O.
What is the InChIKey of (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol?
The InChIKey is WVOMXVUXVVWHQB-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H13NO/c1-14-12-9-6-2-4-8-5-3-7-10(11(8)9)13(12)15/h2-7,12-15H,1H3/t12-,13-/m1/s1.
What are the key properties of (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol?
(1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol has a molecular weight of 199.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(methylamino)-1,2-dihydroacenaphthylen-1-ol is sourced from PubChem (CID 45098940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).