[(1S)-1-naphthalen-1-ylethyl] carbamate

C13H13NO2 — CID 67592727

IUPAC[(1S)-1-naphthalen-1-ylethyl] carbamate
SMILESC[C@H](OC(N)=O)c1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-9(16-13(14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyGKGCPJFQPWIDRK-VIFPVBQESA-N
MW215.25 g/mol
LogP3.00
Rot. Bonds2

About [(1S)-1-naphthalen-1-ylethyl] carbamate

[(1S)-1-naphthalen-1-ylethyl] carbamate (PubChem CID 67592727) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(1S)-1-naphthalen-1-ylethyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-naphthalen-1-ylethyl] carbamate
PubChem CID67592727
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name[(1S)-1-naphthalen-1-ylethyl] carbamate
SMILESC[C@H](OC(N)=O)c1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-9(16-13(14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyGKGCPJFQPWIDRK-VIFPVBQESA-N
XLogP3.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-naphthalen-1-ylethyl] carbamate?
The IUPAC name of [(1S)-1-naphthalen-1-ylethyl] carbamate (CID 67592727) is [(1S)-1-naphthalen-1-ylethyl] carbamate.
What is the SMILES notation for [(1S)-1-naphthalen-1-ylethyl] carbamate?
The canonical SMILES for [(1S)-1-naphthalen-1-ylethyl] carbamate is C[C@H](OC(N)=O)c1cccc2ccccc12.
What is the InChIKey of [(1S)-1-naphthalen-1-ylethyl] carbamate?
The InChIKey is GKGCPJFQPWIDRK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13NO2/c1-9(16-13(14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3,(H2,14,15)/t9-/m0/s1.
What are the key properties of [(1S)-1-naphthalen-1-ylethyl] carbamate?
[(1S)-1-naphthalen-1-ylethyl] carbamate has a molecular weight of 215.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-naphthalen-1-ylethyl] carbamate is sourced from PubChem (CID 67592727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).