1-[(2S)-aziridin-2-yl]naphthalen-2-ol

C12H11NO — CID 55262690

IUPAC1-[(2S)-aziridin-2-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@H]1CN1
InChIInChI=1S/C12H11NO/c14-11-6-5-8-3-1-2-4-9(8)12(11)10-7-13-10/h1-6,10,13-14H,7H2/t10-/m1/s1
InChIKeyOPHCXMWRJQNXLB-SNVBAGLBSA-N
MW185.23 g/mol
LogP2.19
Rot. Bonds1

About 1-[(2S)-aziridin-2-yl]naphthalen-2-ol

1-[(2S)-aziridin-2-yl]naphthalen-2-ol (PubChem CID 55262690) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[(2S)-aziridin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2S)-aziridin-2-yl]naphthalen-2-ol
PubChem CID55262690
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-[(2S)-aziridin-2-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1[C@H]1CN1
InChIInChI=1S/C12H11NO/c14-11-6-5-8-3-1-2-4-9(8)12(11)10-7-13-10/h1-6,10,13-14H,7H2/t10-/m1/s1
InChIKeyOPHCXMWRJQNXLB-SNVBAGLBSA-N
XLogP2.19
TPSA42.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-Dimethylaminomethyl-2-naphthol
CID 223180
1-(1-Piperidinylmethyl)-2-naphthalenol
CID 21436
1,2,3,4-Tetrahydro-benzo[h]isoquinolin-8-ol
CID 9990355
1-(Aminomethyl)naphthalen-2-ol
CID 241200
5-(Aminomethyl)naphthalen-2-ol
CID 44352201
1-{[Benzyl(methyl)amino]methyl}-2-naphthol
CID 577695
GNF-Pf-5310
CID 241056
N-[(2-hydroxy-1-naphthyl)(phenyl)methyl]butanamide
CID 2841424
N-[(2-Hydroxy-naphthalen-1-yl)-phenyl-methyl]-3-methyl-butyramide
CID 2928633
N-[(2-hydroxy-1-naphthyl)(4-isopropylphenyl)methyl]acetamide
CID 3136143
N-[(2-Hydroxy-1-naphthalenyl)phenylmethyl]acetamide
CID 220658
3-[(Dibutylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44531452

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-aziridin-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[(2S)-aziridin-2-yl]naphthalen-2-ol (CID 55262690) is 1-[(2S)-aziridin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2S)-aziridin-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[(2S)-aziridin-2-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1[C@H]1CN1.
What is the InChIKey of 1-[(2S)-aziridin-2-yl]naphthalen-2-ol?
The InChIKey is OPHCXMWRJQNXLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11NO/c14-11-6-5-8-3-1-2-4-9(8)12(11)10-7-13-10/h1-6,10,13-14H,7H2/t10-/m1/s1.
What are the key properties of 1-[(2S)-aziridin-2-yl]naphthalen-2-ol?
1-[(2S)-aziridin-2-yl]naphthalen-2-ol has a molecular weight of 185.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-aziridin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 55262690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).