naphthalen-2-yl carbamate

C11H9NO2 — CID 588975

IUPACnaphthalen-2-yl carbamate
SMILESNC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C11H9NO2/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
InChIKeyZCQPYIDWQYERKC-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.30
Rot. Bonds1

About naphthalen-2-yl carbamate

naphthalen-2-yl carbamate (PubChem CID 588975) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is naphthalen-2-yl carbamate.

Molecular Properties

Compound Namenaphthalen-2-yl carbamate
PubChem CID588975
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Namenaphthalen-2-yl carbamate
SMILESNC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C11H9NO2/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
InChIKeyZCQPYIDWQYERKC-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl carbamate?
The IUPAC name of naphthalen-2-yl carbamate (CID 588975) is naphthalen-2-yl carbamate.
What is the SMILES notation for naphthalen-2-yl carbamate?
The canonical SMILES for naphthalen-2-yl carbamate is NC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl carbamate?
The InChIKey is ZCQPYIDWQYERKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13).
What are the key properties of naphthalen-2-yl carbamate?
naphthalen-2-yl carbamate has a molecular weight of 187.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl carbamate is sourced from PubChem (CID 588975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).