(2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide

C12H22N2O — CID 134855260

IUPAC(2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
SMILESC=C(C)N1CCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)14-8-6-7-10(14)11(15)13-12(3,4)5/h10H,1,6-8H2,2-5H3,(H,13,15)/t10-/m0/s1
InChIKeyPYVVSEITWCDVKD-JTQLQIEISA-N
MW210.32 g/mol
LogP1.90
Rot. Bonds2

About (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide

(2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide (PubChem CID 134855260) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
PubChem CID134855260
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide
SMILESC=C(C)N1CCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)14-8-6-7-10(14)11(15)13-12(3,4)5/h10H,1,6-8H2,2-5H3,(H,13,15)/t10-/m0/s1
InChIKeyPYVVSEITWCDVKD-JTQLQIEISA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide (CID 134855260) is (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide is C=C(C)N1CCC[C@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The InChIKey is PYVVSEITWCDVKD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)14-8-6-7-10(14)11(15)13-12(3,4)5/h10H,1,6-8H2,2-5H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide?
(2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-1-prop-1-en-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134855260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).