(1-methyl-2H-pyridin-2-yl) N-methylcarbamate

C8H12N2O2 — CID 141092728

IUPAC(1-methyl-2H-pyridin-2-yl) N-methylcarbamate
SMILESCNC(=O)OC1C=CC=CN1C
InChIInChI=1S/C8H12N2O2/c1-9-8(11)12-7-5-3-4-6-10(7)2/h3-7H,1-2H3,(H,9,11)
InChIKeyLFHIFVHFRXBDNE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.68
Rot. Bonds1

About (1-methyl-2H-pyridin-2-yl) N-methylcarbamate

(1-methyl-2H-pyridin-2-yl) N-methylcarbamate (PubChem CID 141092728) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (1-methyl-2H-pyridin-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(1-methyl-2H-pyridin-2-yl) N-methylcarbamate
PubChem CID141092728
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(1-methyl-2H-pyridin-2-yl) N-methylcarbamate
SMILESCNC(=O)OC1C=CC=CN1C
InChIInChI=1S/C8H12N2O2/c1-9-8(11)12-7-5-3-4-6-10(7)2/h3-7H,1-2H3,(H,9,11)
InChIKeyLFHIFVHFRXBDNE-UHFFFAOYSA-N
XLogP0.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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prop-2-enyl N-buta-1,3-dienylcarbamate
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Ethyl 1,2-dihydropyridin-1-ium-1-carboxylate
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1,2-Dihydropyridin-3-ylmethyl carbamate
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1-ethenyl-2H-pyridine;3H-1,3-oxazol-2-one
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chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate
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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2H-pyridin-2-yl) N-methylcarbamate?
The IUPAC name of (1-methyl-2H-pyridin-2-yl) N-methylcarbamate (CID 141092728) is (1-methyl-2H-pyridin-2-yl) N-methylcarbamate.
What is the SMILES notation for (1-methyl-2H-pyridin-2-yl) N-methylcarbamate?
The canonical SMILES for (1-methyl-2H-pyridin-2-yl) N-methylcarbamate is CNC(=O)OC1C=CC=CN1C.
What is the InChIKey of (1-methyl-2H-pyridin-2-yl) N-methylcarbamate?
The InChIKey is LFHIFVHFRXBDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-9-8(11)12-7-5-3-4-6-10(7)2/h3-7H,1-2H3,(H,9,11).
What are the key properties of (1-methyl-2H-pyridin-2-yl) N-methylcarbamate?
(1-methyl-2H-pyridin-2-yl) N-methylcarbamate has a molecular weight of 168.20 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2H-pyridin-2-yl) N-methylcarbamate is sourced from PubChem (CID 141092728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).