methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate

C13H17NO3 — CID 90581032

IUPACmethyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C13H17NO3/c1-17-12(15)14-9-13(16)7-6-10-4-2-3-5-11(10)8-13/h2-5,16H,6-9H2,1H3,(H,14,15)
InChIKeyWTPGQVSDDJSQSI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.26
Rot. Bonds2

About methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate

methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate (PubChem CID 90581032) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
PubChem CID90581032
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C13H17NO3/c1-17-12(15)14-9-13(16)7-6-10-4-2-3-5-11(10)8-13/h2-5,16H,6-9H2,1H3,(H,14,15)
InChIKeyWTPGQVSDDJSQSI-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate (CID 90581032) is methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate is COC(=O)NCC1(O)CCc2ccccc2C1.
What is the InChIKey of methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate?
The InChIKey is WTPGQVSDDJSQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-12(15)14-9-13(16)7-6-10-4-2-3-5-11(10)8-13/h2-5,16H,6-9H2,1H3,(H,14,15).
What are the key properties of methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate?
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate is sourced from PubChem (CID 90581032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).