3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile

C11H14N2O2 — CID 103979517

IUPAC3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile
SMILESCC(CC#N)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H14N2O2/c1-7(5-6-12)13-10(14)8-3-2-4-9(8)11(13)15/h7-9H,2-5H2,1H3
InChIKeySUEHJMTXNVDQRG-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.07
Rot. Bonds2

About 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile

3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile (PubChem CID 103979517) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile.

Molecular Properties

Compound Name3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile
PubChem CID103979517
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile
SMILESCC(CC#N)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H14N2O2/c1-7(5-6-12)13-10(14)8-3-2-4-9(8)11(13)15/h7-9H,2-5H2,1H3
InChIKeySUEHJMTXNVDQRG-UHFFFAOYSA-N
XLogP1.07
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butanenitrile
CID 62094621
3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanethioamide
CID 103979564
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
CID 61238282
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)pentanenitrile
CID 54904357
2-(1-hydroxy-3-methylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 73110572
2-(1-amino-3-methylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980108
3-(3,5-dioxothiomorpholin-4-yl)butanenitrile
CID 104570637
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanoic acid
CID 103979257
2-[(2R)-2-aminopropyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 104931620
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid
CID 7007237
3-pyrrolidin-1-ylbutanenitrile
CID 46318245
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 6581467

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile?
The IUPAC name of 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile (CID 103979517) is 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile.
What is the SMILES notation for 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile?
The canonical SMILES for 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile is CC(CC#N)N1C(=O)C2CCCC2C1=O.
What is the InChIKey of 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile?
The InChIKey is SUEHJMTXNVDQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(5-6-12)13-10(14)8-3-2-4-9(8)11(13)15/h7-9H,2-5H2,1H3.
What are the key properties of 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile?
3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile has a molecular weight of 206.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanenitrile is sourced from PubChem (CID 103979517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).