(1-methyl-2H-pyridin-2-yl) carbamate

C7H10N2O2 — CID 174798435

IUPAC(1-methyl-2H-pyridin-2-yl) carbamate
SMILESCN1C=CC=CC1OC(N)=O
InChIInChI=1S/C7H10N2O2/c1-9-5-3-2-4-6(9)11-7(8)10/h2-6H,1H3,(H2,8,10)
InChIKeyKWZMUUNZDJXBQX-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.42
Rot. Bonds1

About (1-methyl-2H-pyridin-2-yl) carbamate

(1-methyl-2H-pyridin-2-yl) carbamate (PubChem CID 174798435) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (1-methyl-2H-pyridin-2-yl) carbamate.

Molecular Properties

Compound Name(1-methyl-2H-pyridin-2-yl) carbamate
PubChem CID174798435
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(1-methyl-2H-pyridin-2-yl) carbamate
SMILESCN1C=CC=CC1OC(N)=O
InChIInChI=1S/C7H10N2O2/c1-9-5-3-2-4-6(9)11-7(8)10/h2-6H,1H3,(H2,8,10)
InChIKeyKWZMUUNZDJXBQX-UHFFFAOYSA-N
XLogP0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2H-pyridin-2-yl) carbamate?
The IUPAC name of (1-methyl-2H-pyridin-2-yl) carbamate (CID 174798435) is (1-methyl-2H-pyridin-2-yl) carbamate.
What is the SMILES notation for (1-methyl-2H-pyridin-2-yl) carbamate?
The canonical SMILES for (1-methyl-2H-pyridin-2-yl) carbamate is CN1C=CC=CC1OC(N)=O.
What is the InChIKey of (1-methyl-2H-pyridin-2-yl) carbamate?
The InChIKey is KWZMUUNZDJXBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-9-5-3-2-4-6(9)11-7(8)10/h2-6H,1H3,(H2,8,10).
What are the key properties of (1-methyl-2H-pyridin-2-yl) carbamate?
(1-methyl-2H-pyridin-2-yl) carbamate has a molecular weight of 154.17 g/mol, XLogP of 0.42, 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) carbamate is sourced from PubChem (CID 174798435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).