(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide

C12H22N2O — CID 134295940

IUPAC(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/CN1CCCC1
InChIInChI=1S/C12H22N2O/c1-12(2,3)13-11(15)7-6-10-14-8-4-5-9-14/h6-7H,4-5,8-10H2,1-3H3,(H,13,15)/b7-6+
InChIKeyCIKKSNKHMZCGKX-VOTSOKGWSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds3

About (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide

(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide (PubChem CID 134295940) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide
PubChem CID134295940
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/CN1CCCC1
InChIInChI=1S/C12H22N2O/c1-12(2,3)13-11(15)7-6-10-14-8-4-5-9-14/h6-7H,4-5,8-10H2,1-3H3,(H,13,15)/b7-6+
InChIKeyCIKKSNKHMZCGKX-VOTSOKGWSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide?
The IUPAC name of (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide (CID 134295940) is (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide is CC(C)(C)NC(=O)/C=C/CN1CCCC1.
What is the InChIKey of (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide?
The InChIKey is CIKKSNKHMZCGKX-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)13-11(15)7-6-10-14-8-4-5-9-14/h6-7H,4-5,8-10H2,1-3H3,(H,13,15)/b7-6+.
What are the key properties of (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide?
(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide is sourced from PubChem (CID 134295940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).