formaldehyde;formonitrile;2-methylpropanal

C6H11NO2 — CID 160832874

IUPACformaldehyde;formonitrile;2-methylpropanal
SMILESC#N.C=O.CC(C)C=O
InChIInChI=1S/C4H8O.CHN.CH2O/c1-4(2)3-5;2*1-2/h3-4H,1-2H3;1H;1H2
InChIKeySHAJGSGEBOBFNU-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.80
Rot. Bonds1

About formaldehyde;formonitrile;2-methylpropanal

formaldehyde;formonitrile;2-methylpropanal (PubChem CID 160832874) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is formaldehyde;formonitrile;2-methylpropanal.

Molecular Properties

Compound Nameformaldehyde;formonitrile;2-methylpropanal
PubChem CID160832874
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameformaldehyde;formonitrile;2-methylpropanal
SMILESC#N.C=O.CC(C)C=O
InChIInChI=1S/C4H8O.CHN.CH2O/c1-4(2)3-5;2*1-2/h3-4H,1-2H3;1H;1H2
InChIKeySHAJGSGEBOBFNU-UHFFFAOYSA-N
XLogP0.80
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;formonitrile;2-methylpropanal?
The IUPAC name of formaldehyde;formonitrile;2-methylpropanal (CID 160832874) is formaldehyde;formonitrile;2-methylpropanal.
What is the SMILES notation for formaldehyde;formonitrile;2-methylpropanal?
The canonical SMILES for formaldehyde;formonitrile;2-methylpropanal is C#N.C=O.CC(C)C=O.
What is the InChIKey of formaldehyde;formonitrile;2-methylpropanal?
The InChIKey is SHAJGSGEBOBFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CHN.CH2O/c1-4(2)3-5;2*1-2/h3-4H,1-2H3;1H;1H2.
What are the key properties of formaldehyde;formonitrile;2-methylpropanal?
formaldehyde;formonitrile;2-methylpropanal has a molecular weight of 129.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;formonitrile;2-methylpropanal is sourced from PubChem (CID 160832874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).