2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile

C15H24N2 — CID 123959396

IUPAC2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile
SMILESC=CC=CCC1CNC(CC(C)(C)C)C1C#N
InChIInChI=1S/C15H24N2/c1-5-6-7-8-12-11-17-14(13(12)10-16)9-15(2,3)4/h5-7,12-14,17H,1,8-9,11H2,2-4H3
InChIKeyPVICVPRCZJKMLU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.28
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile

2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile (PubChem CID 123959396) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile
PubChem CID123959396
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile
SMILESC=CC=CCC1CNC(CC(C)(C)C)C1C#N
InChIInChI=1S/C15H24N2/c1-5-6-7-8-12-11-17-14(13(12)10-16)9-15(2,3)4/h5-7,12-14,17H,1,8-9,11H2,2-4H3
InChIKeyPVICVPRCZJKMLU-UHFFFAOYSA-N
XLogP3.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-Chloro-2-fluorohexa-2,4-dien-3-yl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile
CID 123315115
2-Tert-butyl-4-(3-chloro-2-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine-3-carbonitrile
CID 129059482
4-[(2Z,4Z)-1-chloro-2-fluorohepta-2,4,6-trien-3-yl]-2-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile
CID 129059617
(2S,4S)-4-[(2Z,4Z,6E)-7-chloro-2-fluorohepta-2,4,6-trien-3-yl]-2-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile
CID 146510619
(2S,5R)-2-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-5-propan-2-ylpyrrolidine
CID 146633880
4-[(3Z)-5-chloro-4-fluorohexa-1,3,5-trien-3-yl]-2-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile
CID 155188691
(2S,5S)-2-ethyl-5-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
CID 167026065
4-(3-Chloro-2-fluorocyclohexa-1,5-dien-1-yl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile
CID 143958654
4-(4-Chloro-3-fluoro-2-methylcyclohepta-2,4,6-trien-1-yl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile
CID 143958668
4-[(3Z,5E)-6-chloro-7-fluorohepta-3,5-dien-2-yl]-2-(2,2-dimethylpropyl)pyrrolidine-3-carbonitrile
CID 143958743
4-(3-Chloro-2-fluorocyclohexa-1,5-dien-1-yl)-2-(2,2-dimethylbut-3-enyl)pyrrolidine-3-carbonitrile
CID 143958873
(5S)-4-(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)-2-(2,2-dimethylpropyl)-5-methylpyrrolidine-3-carbonitrile
CID 170571653

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile (CID 123959396) is 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile is C=CC=CCC1CNC(CC(C)(C)C)C1C#N.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile?
The InChIKey is PVICVPRCZJKMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-6-7-8-12-11-17-14(13(12)10-16)9-15(2,3)4/h5-7,12-14,17H,1,8-9,11H2,2-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile?
2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile has a molecular weight of 232.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-penta-2,4-dienylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 123959396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).