N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide

C15H26N2O — CID 123912491

IUPACN-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide
SMILESC=CC(=C)CN(C(=O)C1CC(C)CN1)C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-7-11(2)10-17(15(4,5)6)14(18)13-8-12(3)9-16-13/h7,12-13,16H,1-2,8-10H2,3-6H3
InChIKeyQWFLIKKOYYHBLP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.35
Rot. Bonds4

About N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide

N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide (PubChem CID 123912491) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide
PubChem CID123912491
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide
SMILESC=CC(=C)CN(C(=O)C1CC(C)CN1)C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-7-11(2)10-17(15(4,5)6)14(18)13-8-12(3)9-16-13/h7,12-13,16H,1-2,8-10H2,3-6H3
InChIKeyQWFLIKKOYYHBLP-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide 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 N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide (CID 123912491) is N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide is C=CC(=C)CN(C(=O)C1CC(C)CN1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide?
The InChIKey is QWFLIKKOYYHBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-7-11(2)10-17(15(4,5)6)14(18)13-8-12(3)9-16-13/h7,12-13,16H,1-2,8-10H2,3-6H3.
What are the key properties of N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide?
N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123912491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).