benzene;N-methylformamide

C8H11NO — CID 86196243

IUPACbenzene;N-methylformamide
SMILESCNC=O.c1ccccc1
InChIInChI=1S/C6H6.C2H5NO/c1-2-4-6-5-3-1;1-3-2-4/h1-6H;2H,1H3,(H,3,4)
InChIKeyXBRZGEWWESFDJF-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.05
Rot. Bonds1

About benzene;N-methylformamide

benzene;N-methylformamide (PubChem CID 86196243) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is benzene;N-methylformamide.

Molecular Properties

Compound Namebenzene;N-methylformamide
PubChem CID86196243
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Namebenzene;N-methylformamide
SMILESCNC=O.c1ccccc1
InChIInChI=1S/C6H6.C2H5NO/c1-2-4-6-5-3-1;1-3-2-4/h1-6H;2H,1H3,(H,3,4)
InChIKeyXBRZGEWWESFDJF-UHFFFAOYSA-N
XLogP1.05
TPSA29.10 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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;N-methylformamide?
The IUPAC name of benzene;N-methylformamide (CID 86196243) is benzene;N-methylformamide.
What is the SMILES notation for benzene;N-methylformamide?
The canonical SMILES for benzene;N-methylformamide is CNC=O.c1ccccc1.
What is the InChIKey of benzene;N-methylformamide?
The InChIKey is XBRZGEWWESFDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H5NO/c1-2-4-6-5-3-1;1-3-2-4/h1-6H;2H,1H3,(H,3,4).
What are the key properties of benzene;N-methylformamide?
benzene;N-methylformamide has a molecular weight of 137.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-methylformamide is sourced from PubChem (CID 86196243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).