methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate

C15H16O3 — CID 102264441

IUPACmethyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
SMILESC=C(C)C(=O)C1(C(=O)OC)CC1c1ccccc1
InChIInChI=1S/C15H16O3/c1-10(2)13(16)15(14(17)18-3)9-12(15)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKeyYMNFFCHVODYAEU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.48
Rot. Bonds4

About methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate

methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate (PubChem CID 102264441) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
PubChem CID102264441
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
SMILESC=C(C)C(=O)C1(C(=O)OC)CC1c1ccccc1
InChIInChI=1S/C15H16O3/c1-10(2)13(16)15(14(17)18-3)9-12(15)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKeyYMNFFCHVODYAEU-UHFFFAOYSA-N
XLogP2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cis-methyl (1S,2S)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557657
methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate
CID 145071818
1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 101387645
cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
CID 44557655
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248
methyl 2-(4-methoxyphenyl)-1-[(E)-2-methylbut-2-enoyl]cyclopropane-1-carboxylate
CID 102264444
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
dipropyl (2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 169410245
(2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 7351189
1-amino-2-phenylcyclopropane-1-carboxylic acid;methyl 1-acetamido-2-phenylcyclopropane-1-carboxylate
CID 167649996

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate (CID 102264441) is methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate is C=C(C)C(=O)C1(C(=O)OC)CC1c1ccccc1.
What is the InChIKey of methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate?
The InChIKey is YMNFFCHVODYAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10(2)13(16)15(14(17)18-3)9-12(15)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3.
What are the key properties of methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate?
methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 102264441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).