1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol

C16H17NO2 — CID 691470

IUPAC1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/C[C@@H]1CCCO1
InChIInChI=1S/C16H17NO2/c18-16-8-7-12-4-1-2-6-14(12)15(16)11-17-10-13-5-3-9-19-13/h1-2,4,6-8,11,13,18H,3,5,9-10H2/b17-11+/t13-/m0/s1
InChIKeyYDNZNCPBDSCZFD-HNEYUBDGSA-N
MW255.32 g/mol
LogP3.14
Rot. Bonds3

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

1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol (PubChem CID 691470) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol
PubChem CID691470
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/C[C@@H]1CCCO1
InChIInChI=1S/C16H17NO2/c18-16-8-7-12-4-1-2-6-14(12)15(16)11-17-10-13-5-3-9-19-13/h1-2,4,6-8,11,13,18H,3,5,9-10H2/b17-11+/t13-/m0/s1
InChIKeyYDNZNCPBDSCZFD-HNEYUBDGSA-N
XLogP3.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol
CID 136783634
4-bromo-2-[[(2R)-oxolan-2-yl]methyliminomethyl]phenol
CID 691917
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol
CID 136996162
1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol
CID 135596299
4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135716311
dizinc;2-[[(2S)-oxolan-2-yl]methyliminomethyl]phenolate;2-[[(2R)-oxolan-2-yl]methyliminomethyl]phenolate;diisothiocyanate
CID 139199557
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol
CID 135598116
1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol
CID 137270230
1-(furan-2-ylmethyl)-6-hydroxy-5-[[(2R)-oxolan-2-yl]methyliminomethyl]pyrimidine-2,4-dione
CID 135895118

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol (CID 691470) is 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/C[C@@H]1CCCO1.
What is the InChIKey of 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol?
The InChIKey is YDNZNCPBDSCZFD-HNEYUBDGSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16-8-7-12-4-1-2-6-14(12)15(16)11-17-10-13-5-3-9-19-13/h1-2,4,6-8,11,13,18H,3,5,9-10H2/b17-11+/t13-/m0/s1.
What are the key properties of 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol?
1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol has a molecular weight of 255.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 691470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).