5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine

C10H18N2 — CID 131065642

IUPAC5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESC=CCN1CCC2NCCC2C1
InChIInChI=1S/C10H18N2/c1-2-6-12-7-4-10-9(8-12)3-5-11-10/h2,9-11H,1,3-8H2
InChIKeyKAPDWQAOCHBZBC-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.86
Rot. Bonds2

About 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine

5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (PubChem CID 131065642) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
PubChem CID131065642
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESC=CCN1CCC2NCCC2C1
InChIInChI=1S/C10H18N2/c1-2-6-12-7-4-10-9(8-12)3-5-11-10/h2,9-11H,1,3-8H2
InChIKeyKAPDWQAOCHBZBC-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4aS,7aS)-6-prop-2-enyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682841
5-(2,2-difluoroethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 130682687
5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 171466717
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine
CID 60979508
1,3,4-tris(prop-2-enyl)piperidine
CID 118117546
(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
6-cyclopropyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[2,3-d]azepine
CID 83846587
(3aS,6aS)-5-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole
CID 133143470
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 131182942

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (CID 131065642) is 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine is C=CCN1CCC2NCCC2C1.
What is the InChIKey of 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The InChIKey is KAPDWQAOCHBZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-6-12-7-4-10-9(8-12)3-5-11-10/h2,9-11H,1,3-8H2.
What are the key properties of 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine has a molecular weight of 166.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 131065642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).