naphthalen-1-ylmethyl carbamate

C12H11NO2 — CID 10536074

IUPACnaphthalen-1-ylmethyl carbamate
SMILESNC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C12H11NO2/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
InChIKeyPQIYQMVMOHZRKX-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.44
Rot. Bonds2

About naphthalen-1-ylmethyl carbamate

naphthalen-1-ylmethyl carbamate (PubChem CID 10536074) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is naphthalen-1-ylmethyl carbamate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl carbamate
PubChem CID10536074
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namenaphthalen-1-ylmethyl carbamate
SMILESNC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C12H11NO2/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
InChIKeyPQIYQMVMOHZRKX-UHFFFAOYSA-N
XLogP2.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl carbamate?
The IUPAC name of naphthalen-1-ylmethyl carbamate (CID 10536074) is naphthalen-1-ylmethyl carbamate.
What is the SMILES notation for naphthalen-1-ylmethyl carbamate?
The canonical SMILES for naphthalen-1-ylmethyl carbamate is NC(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl carbamate?
The InChIKey is PQIYQMVMOHZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14).
What are the key properties of naphthalen-1-ylmethyl carbamate?
naphthalen-1-ylmethyl carbamate has a molecular weight of 201.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl carbamate is sourced from PubChem (CID 10536074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).