methyl 3-methylidenecyclobutane-1-carboxylate

C7H10O2 — CID 11051654

IUPACmethyl 3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OC)C1
InChIInChI=1S/C7H10O2/c1-5-3-6(4-5)7(8)9-2/h6H,1,3-4H2,2H3
InChIKeyOSWTXCSCDKIANQ-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.13
Rot. Bonds1

About methyl 3-methylidenecyclobutane-1-carboxylate

methyl 3-methylidenecyclobutane-1-carboxylate (PubChem CID 11051654) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is methyl 3-methylidenecyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylidenecyclobutane-1-carboxylate
PubChem CID11051654
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Namemethyl 3-methylidenecyclobutane-1-carboxylate
SMILESC=C1CC(C(=O)OC)C1
InChIInChI=1S/C7H10O2/c1-5-3-6(4-5)7(8)9-2/h6H,1,3-4H2,2H3
InChIKeyOSWTXCSCDKIANQ-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylenecyclobutanecarboxylic acid
CID 27475
tert-Butyl 3-methylidenecyclobutane-1-carboxylate
CID 14434460
Ethyl 3-methylidenecyclobutane-1-carboxylate
CID 18706839
4-Pentenoic acid, 4-methyl-, methyl ester
CID 549616
Methyl 3-methylenepentanoate
CID 13508347
Methyl 4-(fluoromethyl)-3-methylpent-4-enoate
CID 89299053
4-Pentenoic acid, 2,4-dimethyl-, methyl ester
CID 557840
trans-methyl (1R,2R)-2-methyl-3-methylidenecyclopropane-1-carboxylate
CID 13512811
Ethyl 2,3-dimethylidenecyclobutane-1-carboxylate
CID 13979990
Methyl 3-bromomethylenecyclobutane-1-carboxylate
CID 21593479
trans-methyl (1S,2S)-2-methyl-3-methylidenecyclopropane-1-carboxylate
CID 45116499
Trifluoro-[(3-methoxycarbonylcyclobutylidene)methyl]boranuide
CID 155290615

Frequently Asked Questions

What is the IUPAC name of methyl 3-methylidenecyclobutane-1-carboxylate?
The IUPAC name of methyl 3-methylidenecyclobutane-1-carboxylate (CID 11051654) is methyl 3-methylidenecyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-methylidenecyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-methylidenecyclobutane-1-carboxylate is C=C1CC(C(=O)OC)C1.
What is the InChIKey of methyl 3-methylidenecyclobutane-1-carboxylate?
The InChIKey is OSWTXCSCDKIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-6(4-5)7(8)9-2/h6H,1,3-4H2,2H3.
What are the key properties of methyl 3-methylidenecyclobutane-1-carboxylate?
methyl 3-methylidenecyclobutane-1-carboxylate has a molecular weight of 126.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylidenecyclobutane-1-carboxylate is sourced from PubChem (CID 11051654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).