benzene;N,N-dimethylformamide

C9H13NO — CID 19608675

IUPACbenzene;N,N-dimethylformamide
SMILESCN(C)C=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO/c1-2-4-6-5-3-1;1-4(2)3-5/h1-6H;3H,1-2H3
InChIKeyNHVHYFAWHCJELN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.39
Rot. Bonds1

About benzene;N,N-dimethylformamide

benzene;N,N-dimethylformamide (PubChem CID 19608675) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is benzene;N,N-dimethylformamide.

Molecular Properties

Compound Namebenzene;N,N-dimethylformamide
PubChem CID19608675
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Namebenzene;N,N-dimethylformamide
SMILESCN(C)C=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO/c1-2-4-6-5-3-1;1-4(2)3-5/h1-6H;3H,1-2H3
InChIKeyNHVHYFAWHCJELN-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
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,N-dimethylformamide?
The IUPAC name of benzene;N,N-dimethylformamide (CID 19608675) is benzene;N,N-dimethylformamide.
What is the SMILES notation for benzene;N,N-dimethylformamide?
The canonical SMILES for benzene;N,N-dimethylformamide is CN(C)C=O.c1ccccc1.
What is the InChIKey of benzene;N,N-dimethylformamide?
The InChIKey is NHVHYFAWHCJELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H7NO/c1-2-4-6-5-3-1;1-4(2)3-5/h1-6H;3H,1-2H3.
What are the key properties of benzene;N,N-dimethylformamide?
benzene;N,N-dimethylformamide has a molecular weight of 151.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N,N-dimethylformamide is sourced from PubChem (CID 19608675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).