methane;bis(N-methylformamide);propanal

C8H20N2O3 — CID 158729110

IUPACmethane;bis(N-methylformamide);propanal
SMILESC.CCC=O.CNC=O.CNC=O
InChIInChI=1S/C3H6O.2C2H5NO.CH4/c1-2-3-4;2*1-3-2-4;/h3H,2H2,1H3;2*2H,1H3,(H,3,4);1H4
InChIKeyIKWMJLFNIZTVEC-UHFFFAOYSA-N
MW192.26 g/mol
LogP-0.04
Rot. Bonds3

About methane;bis(N-methylformamide);propanal

methane;bis(N-methylformamide);propanal (PubChem CID 158729110) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is methane;bis(N-methylformamide);propanal.

Molecular Properties

Compound Namemethane;bis(N-methylformamide);propanal
PubChem CID158729110
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Namemethane;bis(N-methylformamide);propanal
SMILESC.CCC=O.CNC=O.CNC=O
InChIInChI=1S/C3H6O.2C2H5NO.CH4/c1-2-3-4;2*1-3-2-4;/h3H,2H2,1H3;2*2H,1H3,(H,3,4);1H4
InChIKeyIKWMJLFNIZTVEC-UHFFFAOYSA-N
XLogP-0.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 159115270
N-methylformamide;titanium
CID 175536868
propanal;propane
CID 91031727
propanal;trihydrochloride
CID 140558923
magnesium;hydride;propanal
CID 173025513
propanal;propane;yttrium
CID 161083042
ethane;N-methylformamide;octane
CID 164590964
cyclobutane;N-methylformamide
CID 144809083
cyclobutane;propanal
CID 174643363
cyclopropane;N-methylformamide
CID 145062498
methane;tris(N-methylacetamide);N-methylformamide
CID 158395174
dibromozinc;propanal
CID 174552575

Frequently Asked Questions

What is the IUPAC name of methane;bis(N-methylformamide);propanal?
The IUPAC name of methane;bis(N-methylformamide);propanal (CID 158729110) is methane;bis(N-methylformamide);propanal.
What is the SMILES notation for methane;bis(N-methylformamide);propanal?
The canonical SMILES for methane;bis(N-methylformamide);propanal is C.CCC=O.CNC=O.CNC=O.
What is the InChIKey of methane;bis(N-methylformamide);propanal?
The InChIKey is IKWMJLFNIZTVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.2C2H5NO.CH4/c1-2-3-4;2*1-3-2-4;/h3H,2H2,1H3;2*2H,1H3,(H,3,4);1H4.
What are the key properties of methane;bis(N-methylformamide);propanal?
methane;bis(N-methylformamide);propanal has a molecular weight of 192.26 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(N-methylformamide);propanal is sourced from PubChem (CID 158729110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).