N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide

C16H17N3O3 — CID 98545792

IUPACN-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide
SMILESCC(C)N1C(=O)C[C@H](NC(=O)c2cc3ccccn3c2)C1=O
InChIInChI=1S/C16H17N3O3/c1-10(2)19-14(20)8-13(16(19)22)17-15(21)11-7-12-5-3-4-6-18(12)9-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyNRUXUVJCEAASJY-ZDUSSCGKSA-N
MW299.33 g/mol
LogP1.21
Rot. Bonds3

About N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide

N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide (PubChem CID 98545792) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide
PubChem CID98545792
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide
SMILESCC(C)N1C(=O)C[C@H](NC(=O)c2cc3ccccn3c2)C1=O
InChIInChI=1S/C16H17N3O3/c1-10(2)19-14(20)8-13(16(19)22)17-15(21)11-7-12-5-3-4-6-18(12)9-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyNRUXUVJCEAASJY-ZDUSSCGKSA-N
XLogP1.21
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide?
The IUPAC name of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide (CID 98545792) is N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide.
What is the SMILES notation for N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide?
The canonical SMILES for N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide is CC(C)N1C(=O)C[C@H](NC(=O)c2cc3ccccn3c2)C1=O.
What is the InChIKey of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide?
The InChIKey is NRUXUVJCEAASJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(2)19-14(20)8-13(16(19)22)17-15(21)11-7-12-5-3-4-6-18(12)9-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide?
N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide is sourced from PubChem (CID 98545792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).