(3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide

C11H19N3O2 — CID 118048959

IUPAC(3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide
SMILESC=CC(=O)N[C@H]1CN(C(=O)NCC)C[C@H]1C
InChIInChI=1S/C11H19N3O2/c1-4-10(15)13-9-7-14(6-8(9)3)11(16)12-5-2/h4,8-9H,1,5-7H2,2-3H3,(H,12,16)(H,13,15)/t8-,9+/m1/s1
InChIKeyXPKKZRZBWZIVCC-BDAKNGLRSA-N
MW225.29 g/mol
LogP0.34
Rot. Bonds3

About (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide

(3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide (PubChem CID 118048959) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide
PubChem CID118048959
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide
SMILESC=CC(=O)N[C@H]1CN(C(=O)NCC)C[C@H]1C
InChIInChI=1S/C11H19N3O2/c1-4-10(15)13-9-7-14(6-8(9)3)11(16)12-5-2/h4,8-9H,1,5-7H2,2-3H3,(H,12,16)(H,13,15)/t8-,9+/m1/s1
InChIKeyXPKKZRZBWZIVCC-BDAKNGLRSA-N
XLogP0.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-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 (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide (CID 118048959) is (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide is C=CC(=O)N[C@H]1CN(C(=O)NCC)C[C@H]1C.
What is the InChIKey of (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide?
The InChIKey is XPKKZRZBWZIVCC-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-10(15)13-9-7-14(6-8(9)3)11(16)12-5-2/h4,8-9H,1,5-7H2,2-3H3,(H,12,16)(H,13,15)/t8-,9+/m1/s1.
What are the key properties of (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide?
(3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-ethyl-3-methyl-4-(prop-2-enoylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118048959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).