2-methylbenzamide;molecular hydrogen

C8H11NO — CID 177161283

IUPAC2-methylbenzamide;molecular hydrogen
SMILESCc1ccccc1C(N)=O.[H][H]
InChIInChI=1S/C8H9NO.H2/c1-6-4-2-3-5-7(6)8(9)10;/h2-5H,1H3,(H2,9,10);1H
InChIKeyNTNWKRBYZKPNGB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.34
Rot. Bonds1

About 2-methylbenzamide;molecular hydrogen

2-methylbenzamide;molecular hydrogen (PubChem CID 177161283) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-methylbenzamide;molecular hydrogen.

Molecular Properties

Compound Name2-methylbenzamide;molecular hydrogen
PubChem CID177161283
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-methylbenzamide;molecular hydrogen
SMILESCc1ccccc1C(N)=O.[H][H]
InChIInChI=1S/C8H9NO.H2/c1-6-4-2-3-5-7(6)8(9)10;/h2-5H,1H3,(H2,9,10);1H
InChIKeyNTNWKRBYZKPNGB-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzamide;molecular hydrogen?
The IUPAC name of 2-methylbenzamide;molecular hydrogen (CID 177161283) is 2-methylbenzamide;molecular hydrogen.
What is the SMILES notation for 2-methylbenzamide;molecular hydrogen?
The canonical SMILES for 2-methylbenzamide;molecular hydrogen is Cc1ccccc1C(N)=O.[H][H].
What is the InChIKey of 2-methylbenzamide;molecular hydrogen?
The InChIKey is NTNWKRBYZKPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.H2/c1-6-4-2-3-5-7(6)8(9)10;/h2-5H,1H3,(H2,9,10);1H.
What are the key properties of 2-methylbenzamide;molecular hydrogen?
2-methylbenzamide;molecular hydrogen has a molecular weight of 137.18 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzamide;molecular hydrogen is sourced from PubChem (CID 177161283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).