methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate

C14H20O3 — CID 88999759

IUPACmethyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate
SMILESC=C(C(=O)OC)C12CC1CC(C)(C(=O)CC)C2
InChIInChI=1S/C14H20O3/c1-5-11(15)13(3)6-10-7-14(10,8-13)9(2)12(16)17-4/h10H,2,5-8H2,1,3-4H3
InChIKeyJEBMNXYYRPGQJL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.50
Rot. Bonds4

About methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate

methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate (PubChem CID 88999759) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate
PubChem CID88999759
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate
SMILESC=C(C(=O)OC)C12CC1CC(C)(C(=O)CC)C2
InChIInChI=1S/C14H20O3/c1-5-11(15)13(3)6-10-7-14(10,8-13)9(2)12(16)17-4/h10H,2,5-8H2,1,3-4H3
InChIKeyJEBMNXYYRPGQJL-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate?
The IUPAC name of methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate (CID 88999759) is methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate?
The canonical SMILES for methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate is C=C(C(=O)OC)C12CC1CC(C)(C(=O)CC)C2.
What is the InChIKey of methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate?
The InChIKey is JEBMNXYYRPGQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-11(15)13(3)6-10-7-14(10,8-13)9(2)12(16)17-4/h10H,2,5-8H2,1,3-4H3.
What are the key properties of methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate?
methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate has a molecular weight of 236.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-3-propanoyl-1-bicyclo[3.1.0]hexanyl)prop-2-enoate is sourced from PubChem (CID 88999759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).