(2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide

C9H15N3O2 — CID 57408506

IUPAC(2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide
SMILESC=CCN1[C@H](C(N)=O)CC[C@H]1C(N)=O
InChIInChI=1S/C9H15N3O2/c1-2-5-12-6(8(10)13)3-4-7(12)9(11)14/h2,6-7H,1,3-5H2,(H2,10,13)(H2,11,14)/t6-,7-/m0/s1
InChIKeySUPQHMUCDICZSK-BQBZGAKWSA-N
MW197.24 g/mol
LogP-1.02
Rot. Bonds4

About (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide

(2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide (PubChem CID 57408506) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide.

Molecular Properties

Compound Name(2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide
PubChem CID57408506
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide
SMILESC=CCN1[C@H](C(N)=O)CC[C@H]1C(N)=O
InChIInChI=1S/C9H15N3O2/c1-2-5-12-6(8(10)13)3-4-7(12)9(11)14/h2,6-7H,1,3-5H2,(H2,10,13)(H2,11,14)/t6-,7-/m0/s1
InChIKeySUPQHMUCDICZSK-BQBZGAKWSA-N
XLogP-1.02
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
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 (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide?
The IUPAC name of (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide (CID 57408506) is (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide.
What is the SMILES notation for (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide?
The canonical SMILES for (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide is C=CCN1[C@H](C(N)=O)CC[C@H]1C(N)=O.
What is the InChIKey of (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide?
The InChIKey is SUPQHMUCDICZSK-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-5-12-6(8(10)13)3-4-7(12)9(11)14/h2,6-7H,1,3-5H2,(H2,10,13)(H2,11,14)/t6-,7-/m0/s1.
What are the key properties of (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide?
(2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide has a molecular weight of 197.24 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide is sourced from PubChem (CID 57408506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).