methane;prop-2-ynoic acid

C4H6O2 — CID 173375063

IUPACmethane;prop-2-ynoic acid
SMILESC.C#CC(=O)O
InChIInChI=1S/C3H2O2.CH4/c1-2-3(4)5;/h1H,(H,4,5);1H4
InChIKeyAOZGKYFNCGNRRU-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.34
Rot. Bonds

About methane;prop-2-ynoic acid

methane;prop-2-ynoic acid (PubChem CID 173375063) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is methane;prop-2-ynoic acid.

Molecular Properties

Compound Namemethane;prop-2-ynoic acid
PubChem CID173375063
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Namemethane;prop-2-ynoic acid
SMILESC.C#CC(=O)O
InChIInChI=1S/C3H2O2.CH4/c1-2-3(4)5;/h1H,(H,4,5);1H4
InChIKeyAOZGKYFNCGNRRU-UHFFFAOYSA-N
XLogP0.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

prop-2-ynoic acid;titanium
CID 18781419
prop-2-ynoic acid;hydrochloride
CID 87260924
iodoethyne;prop-2-ynoic acid
CID 159080639
methylurea;prop-2-ynoic acid
CID 172728216
lithium;deuterio prop-2-ynoate;hydride
CID 174455819
4-bromo-4,4-difluorobut-2-ynoic acid;dibromo(difluoro)methane;prop-2-ynoic acid
CID 157393177
bis(cyclopenta-1,3-diene);bis(prop-2-ynoic acid);titanium(2+)
CID 18781077
potassium but-2-ynedioic acid
CID 18763942
acetylene;carbonic acid
CID 173128960
but-3-ynoic acid;hydrate
CID 141468447
3-ethynylpenta-1,2-dien-4-yn-1-one
CID 101203298
magnesium;but-2-ynedioic acid;hydride
CID 173356014

Frequently Asked Questions

What is the IUPAC name of methane;prop-2-ynoic acid?
The IUPAC name of methane;prop-2-ynoic acid (CID 173375063) is methane;prop-2-ynoic acid.
What is the SMILES notation for methane;prop-2-ynoic acid?
The canonical SMILES for methane;prop-2-ynoic acid is C.C#CC(=O)O.
What is the InChIKey of methane;prop-2-ynoic acid?
The InChIKey is AOZGKYFNCGNRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O2.CH4/c1-2-3(4)5;/h1H,(H,4,5);1H4.
What are the key properties of methane;prop-2-ynoic acid?
methane;prop-2-ynoic acid has a molecular weight of 86.09 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;prop-2-ynoic acid is sourced from PubChem (CID 173375063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).