formaldehyde;N-[(2-methylphenyl)methyl]formamide

C10H13NO2 — CID 143352574

IUPACformaldehyde;N-[(2-methylphenyl)methyl]formamide
SMILESC=O.Cc1ccccc1CNC=O
InChIInChI=1S/C9H11NO.CH2O/c1-8-4-2-3-5-9(8)6-10-7-11;1-2/h2-5,7H,6H2,1H3,(H,10,11);1H2
InChIKeyQMDGLSVWASBDLE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.06
Rot. Bonds3

About formaldehyde;N-[(2-methylphenyl)methyl]formamide

formaldehyde;N-[(2-methylphenyl)methyl]formamide (PubChem CID 143352574) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is formaldehyde;N-[(2-methylphenyl)methyl]formamide.

Molecular Properties

Compound Nameformaldehyde;N-[(2-methylphenyl)methyl]formamide
PubChem CID143352574
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nameformaldehyde;N-[(2-methylphenyl)methyl]formamide
SMILESC=O.Cc1ccccc1CNC=O
InChIInChI=1S/C9H11NO.CH2O/c1-8-4-2-3-5-9(8)6-10-7-11;1-2/h2-5,7H,6H2,1H3,(H,10,11);1H2
InChIKeyQMDGLSVWASBDLE-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-[(2-methylphenyl)methyl]formamide?
The IUPAC name of formaldehyde;N-[(2-methylphenyl)methyl]formamide (CID 143352574) is formaldehyde;N-[(2-methylphenyl)methyl]formamide.
What is the SMILES notation for formaldehyde;N-[(2-methylphenyl)methyl]formamide?
The canonical SMILES for formaldehyde;N-[(2-methylphenyl)methyl]formamide is C=O.Cc1ccccc1CNC=O.
What is the InChIKey of formaldehyde;N-[(2-methylphenyl)methyl]formamide?
The InChIKey is QMDGLSVWASBDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.CH2O/c1-8-4-2-3-5-9(8)6-10-7-11;1-2/h2-5,7H,6H2,1H3,(H,10,11);1H2.
What are the key properties of formaldehyde;N-[(2-methylphenyl)methyl]formamide?
formaldehyde;N-[(2-methylphenyl)methyl]formamide has a molecular weight of 179.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-[(2-methylphenyl)methyl]formamide is sourced from PubChem (CID 143352574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).