methyl 2-methylcyclobutene-1-carboxylate

C7H10O2 — CID 21107903

IUPACmethyl 2-methylcyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(C)CC1
InChIInChI=1S/C7H10O2/c1-5-3-4-6(5)7(8)9-2/h3-4H2,1-2H3
InChIKeyNXSVEZNUKFLAQP-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds1

About methyl 2-methylcyclobutene-1-carboxylate

methyl 2-methylcyclobutene-1-carboxylate (PubChem CID 21107903) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is methyl 2-methylcyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylcyclobutene-1-carboxylate
PubChem CID21107903
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namemethyl 2-methylcyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(C)CC1
InChIInChI=1S/C7H10O2/c1-5-3-4-6(5)7(8)9-2/h3-4H2,1-2H3
InChIKeyNXSVEZNUKFLAQP-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylcyclobutene-1-carboxylate?
The IUPAC name of methyl 2-methylcyclobutene-1-carboxylate (CID 21107903) is methyl 2-methylcyclobutene-1-carboxylate.
What is the SMILES notation for methyl 2-methylcyclobutene-1-carboxylate?
The canonical SMILES for methyl 2-methylcyclobutene-1-carboxylate is COC(=O)C1=C(C)CC1.
What is the InChIKey of methyl 2-methylcyclobutene-1-carboxylate?
The InChIKey is NXSVEZNUKFLAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-4-6(5)7(8)9-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-methylcyclobutene-1-carboxylate?
methyl 2-methylcyclobutene-1-carboxylate has a molecular weight of 126.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylcyclobutene-1-carboxylate is sourced from PubChem (CID 21107903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).