methane;2-methylprop-2-enal

C5H10O — CID 159819262

IUPACmethane;2-methylprop-2-enal
SMILESC.C=C(C)C=O
InChIInChI=1S/C4H6O.CH4/c1-4(2)3-5;/h3H,1H2,2H3;1H4
InChIKeyNMACINPGTOZOTB-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.40
Rot. Bonds1

About methane;2-methylprop-2-enal

methane;2-methylprop-2-enal (PubChem CID 159819262) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is methane;2-methylprop-2-enal.

Molecular Properties

Compound Namemethane;2-methylprop-2-enal
PubChem CID159819262
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Namemethane;2-methylprop-2-enal
SMILESC.C=C(C)C=O
InChIInChI=1S/C4H6O.CH4/c1-4(2)3-5;/h3H,1H2,2H3;1H4
InChIKeyNMACINPGTOZOTB-UHFFFAOYSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;2-methylprop-2-enal?
The IUPAC name of methane;2-methylprop-2-enal (CID 159819262) is methane;2-methylprop-2-enal.
What is the SMILES notation for methane;2-methylprop-2-enal?
The canonical SMILES for methane;2-methylprop-2-enal is C.C=C(C)C=O.
What is the InChIKey of methane;2-methylprop-2-enal?
The InChIKey is NMACINPGTOZOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.CH4/c1-4(2)3-5;/h3H,1H2,2H3;1H4.
What are the key properties of methane;2-methylprop-2-enal?
methane;2-methylprop-2-enal has a molecular weight of 86.13 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylprop-2-enal is sourced from PubChem (CID 159819262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).