4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile

C9H11N3O2 — CID 10352582

IUPAC4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile
SMILESN#CC1CC(=O)N1C(=O)C1CCCN1
InChIInChI=1S/C9H11N3O2/c10-5-6-4-8(13)12(6)9(14)7-2-1-3-11-7/h6-7,11H,1-4H2
InChIKeyYQHCEPPCMKDHGW-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.61
Rot. Bonds1

About 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile

4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile (PubChem CID 10352582) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile.

Molecular Properties

Compound Name4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile
PubChem CID10352582
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile
SMILESN#CC1CC(=O)N1C(=O)C1CCCN1
InChIInChI=1S/C9H11N3O2/c10-5-6-4-8(13)12(6)9(14)7-2-1-3-11-7/h6-7,11H,1-4H2
InChIKeyYQHCEPPCMKDHGW-UHFFFAOYSA-N
XLogP-0.61
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 91248515
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
9-(pyrrolidine-2-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
CID 119335990
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
(4-methylidenepiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 130765902
(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate
CID 98102285
[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129414461
(2S)-N-cyanopiperidine-2-carboxamide
CID 104914224
(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 130747889
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile?
The IUPAC name of 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile (CID 10352582) is 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile.
What is the SMILES notation for 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile?
The canonical SMILES for 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile is N#CC1CC(=O)N1C(=O)C1CCCN1.
What is the InChIKey of 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile?
The InChIKey is YQHCEPPCMKDHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-5-6-4-8(13)12(6)9(14)7-2-1-3-11-7/h6-7,11H,1-4H2.
What are the key properties of 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile?
4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(pyrrolidine-2-carbonyl)azetidine-2-carbonitrile is sourced from PubChem (CID 10352582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).