methyl 2-(cyclopropylmethyl)prop-2-enoate

C8H12O2 — CID 642985

IUPACmethyl 2-(cyclopropylmethyl)prop-2-enoate
SMILESC=C(CC1CC1)C(=O)OC
InChIInChI=1S/C8H12O2/c1-6(8(9)10-2)5-7-3-4-7/h7H,1,3-5H2,2H3
InChIKeyVNQMVNNXQMHOKA-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-(cyclopropylmethyl)prop-2-enoate

methyl 2-(cyclopropylmethyl)prop-2-enoate (PubChem CID 642985) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethyl)prop-2-enoate
PubChem CID642985
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 2-(cyclopropylmethyl)prop-2-enoate
SMILESC=C(CC1CC1)C(=O)OC
InChIInChI=1S/C8H12O2/c1-6(8(9)10-2)5-7-3-4-7/h7H,1,3-5H2,2H3
InChIKeyVNQMVNNXQMHOKA-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
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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Related Compounds

Dimethyl 2-methyl-5-methyleneadipate
CID 107295
Methyl 4-methyl-2-methylidenepentanoate
CID 22127992
Methyl 2-methylidenehexanoate
CID 330536
Ethyl 2-cyclobutylprop-2-enoate
CID 20261030
Ethyl 2-cyclopropylprop-2-enoate
CID 21848726
1-Methyl cyclopentyl acrylate
CID 18533533
Methyl 6-fluoro-2-methylidenehexanoate
CID 88627320
Fluoromethyl 2-methylidenehexanoate
CID 174500172
Methyl 2-cyclopropylprop-2-enoate
CID 11457694
Dimethyl 2-methylidenehexanedioate
CID 16058817
Methyl 4-methyl-2-methylidene-5-oxohexanoate
CID 54762674
Methyl 2-ethenylidenehexanoate
CID 13040307

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethyl)prop-2-enoate?
The IUPAC name of methyl 2-(cyclopropylmethyl)prop-2-enoate (CID 642985) is methyl 2-(cyclopropylmethyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(cyclopropylmethyl)prop-2-enoate?
The canonical SMILES for methyl 2-(cyclopropylmethyl)prop-2-enoate is C=C(CC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylmethyl)prop-2-enoate?
The InChIKey is VNQMVNNXQMHOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(8(9)10-2)5-7-3-4-7/h7H,1,3-5H2,2H3.
What are the key properties of methyl 2-(cyclopropylmethyl)prop-2-enoate?
methyl 2-(cyclopropylmethyl)prop-2-enoate has a molecular weight of 140.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethyl)prop-2-enoate is sourced from PubChem (CID 642985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).