1-naphthalen-1-ylethyl carbamate

C13H13NO2 — CID 14959373

IUPAC1-naphthalen-1-ylethyl carbamate
SMILESCC(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)
InChIKeyGKGCPJFQPWIDRK-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.00
Rot. Bonds2

About 1-naphthalen-1-ylethyl carbamate

1-naphthalen-1-ylethyl carbamate (PubChem CID 14959373) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-naphthalen-1-ylethyl carbamate.

Molecular Properties

Compound Name1-naphthalen-1-ylethyl carbamate
PubChem CID14959373
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-naphthalen-1-ylethyl carbamate
SMILESCC(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)
InChIKeyGKGCPJFQPWIDRK-UHFFFAOYSA-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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Related Compounds

[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
1-naphthalen-1-ylethyl N-prop-2-ynylcarbamate
CID 140556231
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
1-[2-(1-chloropropyl)phenyl]ethyl carbamate
CID 67665336
dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
1-O-methyl 5-O-[(1R)-1-naphthalen-1-ylethyl] (3S)-3-phenylpentanedioate
CID 100987751
2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate
CID 175527175
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate
CID 69049532

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylethyl carbamate?
The IUPAC name of 1-naphthalen-1-ylethyl carbamate (CID 14959373) is 1-naphthalen-1-ylethyl carbamate.
What is the SMILES notation for 1-naphthalen-1-ylethyl carbamate?
The canonical SMILES for 1-naphthalen-1-ylethyl carbamate is CC(OC(N)=O)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylethyl carbamate?
The InChIKey is GKGCPJFQPWIDRK-UHFFFAOYSA-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).
What are the key properties of 1-naphthalen-1-ylethyl carbamate?
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 1-naphthalen-1-ylethyl carbamate is sourced from PubChem (CID 14959373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).