6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen

C10H16N2O — CID 177348907

IUPAC6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen
SMILESCC1CN(Cc2cccc(=O)[nH]2)C1.[H][H]
InChIInChI=1S/C10H14N2O.H2/c1-8-5-12(6-8)7-9-3-2-4-10(13)11-9;/h2-4,8H,5-7H2,1H3,(H,11,13);1H
InChIKeyHOWBGGOVBONGRP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.07
Rot. Bonds2

About 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen

6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen (PubChem CID 177348907) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen
PubChem CID177348907
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen
SMILESCC1CN(Cc2cccc(=O)[nH]2)C1.[H][H]
InChIInChI=1S/C10H14N2O.H2/c1-8-5-12(6-8)7-9-3-2-4-10(13)11-9;/h2-4,8H,5-7H2,1H3,(H,11,13);1H
InChIKeyHOWBGGOVBONGRP-UHFFFAOYSA-N
XLogP1.07
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 157041763
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CID 176690593
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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen?
The IUPAC name of 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen (CID 177348907) is 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen.
What is the SMILES notation for 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen?
The canonical SMILES for 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen is CC1CN(Cc2cccc(=O)[nH]2)C1.[H][H].
What is the InChIKey of 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen?
The InChIKey is HOWBGGOVBONGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.H2/c1-8-5-12(6-8)7-9-3-2-4-10(13)11-9;/h2-4,8H,5-7H2,1H3,(H,11,13);1H.
What are the key properties of 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen?
6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen has a molecular weight of 180.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylazetidin-1-yl)methyl]-1H-pyridin-2-one;molecular hydrogen is sourced from PubChem (CID 177348907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).