2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one

C16H27NO2 — CID 153346762

IUPAC2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CC2(CCC2)C2COCC21.CC(C)C
InChIInChI=1S/C12H17NO2.C4H10/c1-2-11(14)13-8-12(4-3-5-12)9-6-15-7-10(9)13;1-4(2)3/h2,9-10H,1,3-8H2;4H,1-3H3
InChIKeyWCIYMOOKZUTFGP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.86
Rot. Bonds1

About 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one

2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one (PubChem CID 153346762) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one
PubChem CID153346762
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CC2(CCC2)C2COCC21.CC(C)C
InChIInChI=1S/C12H17NO2.C4H10/c1-2-11(14)13-8-12(4-3-5-12)9-6-15-7-10(9)13;1-4(2)3/h2,9-10H,1,3-8H2;4H,1-3H3
InChIKeyWCIYMOOKZUTFGP-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one?
The IUPAC name of 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one (CID 153346762) is 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one.
What is the SMILES notation for 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one?
The canonical SMILES for 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one is C=CC(=O)N1CC2(CCC2)C2COCC21.CC(C)C.
What is the InChIKey of 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one?
The InChIKey is WCIYMOOKZUTFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C4H10/c1-2-11(14)13-8-12(4-3-5-12)9-6-15-7-10(9)13;1-4(2)3/h2,9-10H,1,3-8H2;4H,1-3H3.
What are the key properties of 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one?
2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;1-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,1'-cyclobutane]-1-ylprop-2-en-1-one is sourced from PubChem (CID 153346762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).