formamide;2-methylpropanal

C5H11NO2 — CID 88766123

IUPACformamide;2-methylpropanal
SMILESCC(C)C=O.NC=O
InChIInChI=1S/C4H8O.CH3NO/c1-4(2)3-5;2-1-3/h3-4H,1-2H3;1H,(H2,2,3)
InChIKeyJNTDYWLPVCJWQO-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.06
Rot. Bonds1

About formamide;2-methylpropanal

formamide;2-methylpropanal (PubChem CID 88766123) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is formamide;2-methylpropanal.

Molecular Properties

Compound Nameformamide;2-methylpropanal
PubChem CID88766123
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nameformamide;2-methylpropanal
SMILESCC(C)C=O.NC=O
InChIInChI=1S/C4H8O.CH3NO/c1-4(2)3-5;2-1-3/h3-4H,1-2H3;1H,(H2,2,3)
InChIKeyJNTDYWLPVCJWQO-UHFFFAOYSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;2-methylpropanal?
The IUPAC name of formamide;2-methylpropanal (CID 88766123) is formamide;2-methylpropanal.
What is the SMILES notation for formamide;2-methylpropanal?
The canonical SMILES for formamide;2-methylpropanal is CC(C)C=O.NC=O.
What is the InChIKey of formamide;2-methylpropanal?
The InChIKey is JNTDYWLPVCJWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH3NO/c1-4(2)3-5;2-1-3/h3-4H,1-2H3;1H,(H2,2,3).
What are the key properties of formamide;2-methylpropanal?
formamide;2-methylpropanal has a molecular weight of 117.15 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-methylpropanal is sourced from PubChem (CID 88766123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).