methylcyclobutane;2-methylprop-2-enoic acid

C9H16O2 — CID 68582164

IUPACmethylcyclobutane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC1CCC1
InChIInChI=1S/C5H10.C4H6O2/c1-5-3-2-4-5;1-3(2)4(5)6/h5H,2-4H2,1H3;1H2,2H3,(H,5,6)
InChIKeyHNVAKAJGEIDPSL-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.45
Rot. Bonds1

About methylcyclobutane;2-methylprop-2-enoic acid

methylcyclobutane;2-methylprop-2-enoic acid (PubChem CID 68582164) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is methylcyclobutane;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namemethylcyclobutane;2-methylprop-2-enoic acid
PubChem CID68582164
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namemethylcyclobutane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC1CCC1
InChIInChI=1S/C5H10.C4H6O2/c1-5-3-2-4-5;1-3(2)4(5)6/h5H,2-4H2,1H3;1H2,2H3,(H,5,6)
InChIKeyHNVAKAJGEIDPSL-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylcyclobutane;2-methylprop-2-enoic acid?
The IUPAC name of methylcyclobutane;2-methylprop-2-enoic acid (CID 68582164) is methylcyclobutane;2-methylprop-2-enoic acid.
What is the SMILES notation for methylcyclobutane;2-methylprop-2-enoic acid?
The canonical SMILES for methylcyclobutane;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC1CCC1.
What is the InChIKey of methylcyclobutane;2-methylprop-2-enoic acid?
The InChIKey is HNVAKAJGEIDPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H6O2/c1-5-3-2-4-5;1-3(2)4(5)6/h5H,2-4H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of methylcyclobutane;2-methylprop-2-enoic acid?
methylcyclobutane;2-methylprop-2-enoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclobutane;2-methylprop-2-enoic acid is sourced from PubChem (CID 68582164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).