2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile

C14H23N3 — CID 79938282

IUPAC2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
SMILESCC1CN2CCCC2CN1C1CCCC1C#N
InChIInChI=1S/C14H23N3/c1-11-9-16-7-3-5-13(16)10-17(11)14-6-2-4-12(14)8-15/h11-14H,2-7,9-10H2,1H3
InChIKeyPNCDGKLDFASAHE-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.85
Rot. Bonds1

About 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile

2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile (PubChem CID 79938282) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
PubChem CID79938282
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
SMILESCC1CN2CCCC2CN1C1CCCC1C#N
InChIInChI=1S/C14H23N3/c1-11-9-16-7-3-5-13(16)10-17(11)14-6-2-4-12(14)8-15/h11-14H,2-7,9-10H2,1H3
InChIKeyPNCDGKLDFASAHE-UHFFFAOYSA-N
XLogP1.85
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile 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

2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79931664
3-methyl-2-(2-methylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939100
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 102734859
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 115824897
3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 81460124
N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79930958
N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine
CID 79930957
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclobutan-1-amine
CID 80561807
N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79937858
3-methyl-2-(3-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926371
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol
CID 79930431
3-methyl-2-(2-phenylcyclopropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916874

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile (CID 79938282) is 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile is CC1CN2CCCC2CN1C1CCCC1C#N.
What is the InChIKey of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is PNCDGKLDFASAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-9-16-7-3-5-13(16)10-17(11)14-6-2-4-12(14)8-15/h11-14H,2-7,9-10H2,1H3.
What are the key properties of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile?
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 233.36 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79938282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).