(3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide

C12H19N3O2 — CID 166872193

IUPAC(3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide
SMILESC=CC[C@H]1C[C@@H]1NC(=O)[C@@H]1CNC[C@H]1C(N)=O
InChIInChI=1S/C12H19N3O2/c1-2-3-7-4-10(7)15-12(17)9-6-14-5-8(9)11(13)16/h2,7-10,14H,1,3-6H2,(H2,13,16)(H,15,17)/t7-,8+,9+,10-/m0/s1
InChIKeyUSWNCRGQQBFSTK-JLIMGVALSA-N
MW237.30 g/mol
LogP-0.61
Rot. Bonds5

About (3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide

(3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide (PubChem CID 166872193) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide
PubChem CID166872193
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide
SMILESC=CC[C@H]1C[C@@H]1NC(=O)[C@@H]1CNC[C@H]1C(N)=O
InChIInChI=1S/C12H19N3O2/c1-2-3-7-4-10(7)15-12(17)9-6-14-5-8(9)11(13)16/h2,7-10,14H,1,3-6H2,(H2,13,16)(H,15,17)/t7-,8+,9+,10-/m0/s1
InChIKeyUSWNCRGQQBFSTK-JLIMGVALSA-N
XLogP-0.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.61
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,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide (CID 166872193) is (3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide is C=CC[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,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
The InChIKey is USWNCRGQQBFSTK-JLIMGVALSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-7-4-10(7)15-12(17)9-6-14-5-8(9)11(13)16/h2,7-10,14H,1,3-6H2,(H2,13,16)(H,15,17)/t7-,8+,9+,10-/m0/s1.
What are the key properties of (3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide?
(3S,4S)-3-N-[(1S,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide has a molecular weight of 237.30 g/mol, XLogP of -0.61, 5 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,2S)-2-prop-2-enylcyclopropyl]pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 166872193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).