methyl 2-cyclopropylprop-2-enoate

C7H10O2 — CID 11457694

IUPACmethyl 2-cyclopropylprop-2-enoate
SMILESC=C(C(=O)OC)C1CC1
InChIInChI=1S/C7H10O2/c1-5(6-3-4-6)7(8)9-2/h6H,1,3-4H2,2H3
InChIKeyXRGJLCRYJCFDQC-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.13
Rot. Bonds2

About methyl 2-cyclopropylprop-2-enoate

methyl 2-cyclopropylprop-2-enoate (PubChem CID 11457694) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is methyl 2-cyclopropylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-cyclopropylprop-2-enoate
PubChem CID11457694
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Namemethyl 2-cyclopropylprop-2-enoate
SMILESC=C(C(=O)OC)C1CC1
InChIInChI=1S/C7H10O2/c1-5(6-3-4-6)7(8)9-2/h6H,1,3-4H2,2H3
InChIKeyXRGJLCRYJCFDQC-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropylprop-2-enoate?
The IUPAC name of methyl 2-cyclopropylprop-2-enoate (CID 11457694) is methyl 2-cyclopropylprop-2-enoate.
What is the SMILES notation for methyl 2-cyclopropylprop-2-enoate?
The canonical SMILES for methyl 2-cyclopropylprop-2-enoate is C=C(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropylprop-2-enoate?
The InChIKey is XRGJLCRYJCFDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5(6-3-4-6)7(8)9-2/h6H,1,3-4H2,2H3.
What are the key properties of methyl 2-cyclopropylprop-2-enoate?
methyl 2-cyclopropylprop-2-enoate has a molecular weight of 126.16 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropylprop-2-enoate is sourced from PubChem (CID 11457694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).