1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

C13H22N2 — CID 102681268

IUPAC1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1=CC(N2CCCC3CNCC32)CCC1
InChIInChI=1S/C13H22N2/c1-2-6-12(7-3-1)15-8-4-5-11-9-14-10-13(11)15/h2,6,11-14H,1,3-5,7-10H2
InChIKeyWVZYCLFTKZGPNA-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.78
Rot. Bonds1

About 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102681268) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102681268
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1=CC(N2CCCC3CNCC32)CCC1
InChIInChI=1S/C13H22N2/c1-2-6-12(7-3-1)15-8-4-5-11-9-14-10-13(11)15/h2,6,11-14H,1,3-5,7-10H2
InChIKeyWVZYCLFTKZGPNA-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine 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

1,9-Diazatricyclo[6.3.1.04,12]dodeca-2,6-diene
CID 91535320
Octahydro-1h-imidazo[2,1-j]quinoline
CID 166611130
N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine
CID 18926378
2,3,4,4a,6a,9,9a,9b-octahydro-1H-cyclopenta[f]quinoxaline
CID 54330595
(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine
CID 70355896
2,3,4,4a,5,5a,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 70498634
(4aR,9bR)-2,3,4,4a,5,5a,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 70617087
(4aS,9bS)-2,8-dimethyl-1,3,4,4a,5,7,8,9b-octahydropyrido[4,3-b]indole
CID 71056596
(4aR,9bR)-2,8-dimethyl-1,3,4,4a,5,7,8,9b-octahydropyrido[4,3-b]indole
CID 71056621
4-Cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine
CID 71098641
6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 123425964
(3aR,4R,7aS)-N,2-dimethyl-1,3,3a,4,7,7a-hexahydroisoindol-4-amine
CID 141794878

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102681268) is 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is C1=CC(N2CCCC3CNCC32)CCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is WVZYCLFTKZGPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-6-12(7-3-1)15-8-4-5-11-9-14-10-13(11)15/h2,6,11-14H,1,3-5,7-10H2.
What are the key properties of 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 206.33 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102681268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).