tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate

C15H25NO2 — CID 71473269

IUPACtert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CCC1C(=C(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-7-8-13-12(11(2)3)9-10-16(13)14(17)18-15(4,5)6/h7,13H,1,8-10H2,2-6H3
InChIKeyLODMOCITBHKRHK-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.91
Rot. Bonds2

About tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 71473269) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID71473269
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CCC1C(=C(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-7-8-13-12(11(2)3)9-10-16(13)14(17)18-15(4,5)6/h7,13H,1,8-10H2,2-6H3
InChIKeyLODMOCITBHKRHK-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 18340820
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
tert-butyl (2S)-2-ethyl-3-oxopyrrolidine-1-carboxylate
CID 96612564
tert-butyl 2-ethyl-3-oxopyrrolidine-1-carboxylate
CID 82394195
tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate
CID 83488081
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidin-2-yl]acetic acid
CID 82386519
tert-butyl (3S,6S)-6-(2-methylpropyl)-2-oxo-3-prop-2-enylmorpholine-4-carboxylate
CID 67789885
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl (1S,4R)-4-phenyl-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 101479041
1-O-tert-butyl 2-O-methyl 3-methylidenepyrrolidine-1,2-dicarboxylate
CID 66788552
tert-butyl (2S,4Z)-4-(2-hydroxyethylidene)-2-methylpiperidine-1-carboxylate
CID 67459081
tert-butyl (2R)-2-prop-2-enoxypyrrolidine-1-carboxylate
CID 59825158

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate (CID 71473269) is tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate is C=CCC1C(=C(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is LODMOCITBHKRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-7-8-13-12(11(2)3)9-10-16(13)14(17)18-15(4,5)6/h7,13H,1,8-10H2,2-6H3.
What are the key properties of tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 71473269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).