(E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide

C11H20N2O — CID 154936584

IUPAC(E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/[C@H]1CCCN1
InChIInChI=1S/C11H20N2O/c1-11(2,3)13-10(14)7-6-9-5-4-8-12-9/h6-7,9,12H,4-5,8H2,1-3H3,(H,13,14)/b7-6+/t9-/m1/s1
InChIKeyZGAQLARYEITPEK-XCODYQFDSA-N
MW196.29 g/mol
LogP1.21
Rot. Bonds2

About (E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide

(E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide (PubChem CID 154936584) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide
PubChem CID154936584
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C/[C@H]1CCCN1
InChIInChI=1S/C11H20N2O/c1-11(2,3)13-10(14)7-6-9-5-4-8-12-9/h6-7,9,12H,4-5,8H2,1-3H3,(H,13,14)/b7-6+/t9-/m1/s1
InChIKeyZGAQLARYEITPEK-XCODYQFDSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
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-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide (CID 154936584) is (E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide is CC(C)(C)NC(=O)/C=C/[C@H]1CCCN1.
What is the InChIKey of (E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide?
The InChIKey is ZGAQLARYEITPEK-XCODYQFDSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)13-10(14)7-6-9-5-4-8-12-9/h6-7,9,12H,4-5,8H2,1-3H3,(H,13,14)/b7-6+/t9-/m1/s1.
What are the key properties of (E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide?
(E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]prop-2-enamide is sourced from PubChem (CID 154936584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).