(3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide

C11H17N3O2 — CID 166872314

IUPAC(3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
SMILESC=C[C@H]1C[C@@H]1NC(=O)[C@@H]1CNC[C@H]1C(N)=O
InChIInChI=1S/C11H17N3O2/c1-2-6-3-9(6)14-11(16)8-5-13-4-7(8)10(12)15/h2,6-9,13H,1,3-5H2,(H2,12,15)(H,14,16)/t6-,7+,8+,9-/m0/s1
InChIKeyARKFSUZQEDXUKS-KDXUFGMBSA-N
MW223.28 g/mol
LogP-1.00
Rot. Bonds4

About (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide

(3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide (PubChem CID 166872314) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
PubChem CID166872314
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
SMILESC=C[C@H]1C[C@@H]1NC(=O)[C@@H]1CNC[C@H]1C(N)=O
InChIInChI=1S/C11H17N3O2/c1-2-6-3-9(6)14-11(16)8-5-13-4-7(8)10(12)15/h2,6-9,13H,1,3-5H2,(H2,12,15)(H,14,16)/t6-,7+,8+,9-/m0/s1
InChIKeyARKFSUZQEDXUKS-KDXUFGMBSA-N
XLogP-1.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide (CID 166872314) is (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide is C=C[C@H]1C[C@@H]1NC(=O)[C@@H]1CNC[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
The InChIKey is ARKFSUZQEDXUKS-KDXUFGMBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-6-3-9(6)14-11(16)8-5-13-4-7(8)10(12)15/h2,6-9,13H,1,3-5H2,(H2,12,15)(H,14,16)/t6-,7+,8+,9-/m0/s1.
What are the key properties of (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
(3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide has a molecular weight of 223.28 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-N-[(1S,2R)-2-ethenylcyclopropyl]pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 166872314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).