N,N-dimethylformamide;methyl formate

C5H11NO3 — CID 87909545

IUPACN,N-dimethylformamide;methyl formate
SMILESCN(C)C=O.COC=O
InChIInChI=1S/C3H7NO.C2H4O2/c1-4(2)3-5;1-4-2-3/h3H,1-2H3;2H,1H3
InChIKeyTVPFSGHMIMPUJD-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.51
Rot. Bonds2

About N,N-dimethylformamide;methyl formate

N,N-dimethylformamide;methyl formate (PubChem CID 87909545) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N,N-dimethylformamide;methyl formate.

Molecular Properties

Compound NameN,N-dimethylformamide;methyl formate
PubChem CID87909545
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC NameN,N-dimethylformamide;methyl formate
SMILESCN(C)C=O.COC=O
InChIInChI=1S/C3H7NO.C2H4O2/c1-4(2)3-5;1-4-2-3/h3H,1-2H3;2H,1H3
InChIKeyTVPFSGHMIMPUJD-UHFFFAOYSA-N
XLogP-0.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 42961
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CID 123254
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CID 560292
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CID 129855596
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CID 176367
CID 176367
CID 12711200
CID 12711200
CID 12281452
CID 12281452
CID 20209050
CID 20209050
CID 13466906
CID 13466906
CID 22056831
CID 22056831
CID 23116779
CID 23116779
CID 23385182
CID 23385182

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;methyl formate?
The IUPAC name of N,N-dimethylformamide;methyl formate (CID 87909545) is N,N-dimethylformamide;methyl formate.
What is the SMILES notation for N,N-dimethylformamide;methyl formate?
The canonical SMILES for N,N-dimethylformamide;methyl formate is CN(C)C=O.COC=O.
What is the InChIKey of N,N-dimethylformamide;methyl formate?
The InChIKey is TVPFSGHMIMPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2H4O2/c1-4(2)3-5;1-4-2-3/h3H,1-2H3;2H,1H3.
What are the key properties of N,N-dimethylformamide;methyl formate?
N,N-dimethylformamide;methyl formate has a molecular weight of 133.15 g/mol, XLogP of -0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;methyl formate is sourced from PubChem (CID 87909545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).