(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate

C12H13NO3 — CID 12643036

IUPAC(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C12H13NO3/c1-13-12(15)16-9-5-6-10-8(7-9)3-2-4-11(10)14/h5-7H,2-4H2,1H3,(H,13,15)
InChIKeyHLTNHAKSSMNTAK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.92
Rot. Bonds1

About (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate

(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate (PubChem CID 12643036) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate
PubChem CID12643036
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C12H13NO3/c1-13-12(15)16-9-5-6-10-8(7-9)3-2-4-11(10)14/h5-7H,2-4H2,1H3,(H,13,15)
InChIKeyHLTNHAKSSMNTAK-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate?
The IUPAC name of (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate (CID 12643036) is (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate.
What is the SMILES notation for (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate?
The canonical SMILES for (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)CCCC2=O.
What is the InChIKey of (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate?
The InChIKey is HLTNHAKSSMNTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-12(15)16-9-5-6-10-8(7-9)3-2-4-11(10)14/h5-7H,2-4H2,1H3,(H,13,15).
What are the key properties of (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate?
(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate has a molecular weight of 219.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate is sourced from PubChem (CID 12643036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).