tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate

C12H21NO2 — CID 162764911

IUPACtert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate
SMILESCC(C)=C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO2/c1-9(2)10-6-7-13(8-10)11(14)15-12(3,4)5/h6-8H2,1-5H3
InChIKeyMBEDVNHNFRXKDH-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.96
Rot. Bonds

About tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate

tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate (PubChem CID 162764911) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate
PubChem CID162764911
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate
SMILESCC(C)=C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO2/c1-9(2)10-6-7-13(8-10)11(14)15-12(3,4)5/h6-8H2,1-5H3
InChIKeyMBEDVNHNFRXKDH-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

CID 88986772
CID 88986772
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
tert-butyl (3E)-3-hydroxyiminopyrrolidine-1-carboxylate
CID 22849736
tert-butyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 70701179
tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate
CID 156839442
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 131429193
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)piperidine-1-carboxylate
CID 59342422
tert-butyl 4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162757444
tert-butyl 4-(1-chloro-2-hydroxypropylidene)piperidine-1-carboxylate
CID 59342433

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate (CID 162764911) is tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate is CC(C)=C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate?
The InChIKey is MBEDVNHNFRXKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)10-6-7-13(8-10)11(14)15-12(3,4)5/h6-8H2,1-5H3.
What are the key properties of tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate?
tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.96, 0 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-ylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 162764911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).