1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline

C13H19N3 — CID 70479212

IUPAC1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline
SMILESC=CCN1NCC2CC3NCCC=C3C=C21
InChIInChI=1S/C13H19N3/c1-2-6-16-13-8-10-4-3-5-14-12(10)7-11(13)9-15-16/h2,4,8,11-12,14-15H,1,3,5-7,9H2
InChIKeyUVJITAJEJJSKFQ-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.18
Rot. Bonds2

About 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline

1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline (PubChem CID 70479212) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline.

Molecular Properties

Compound Name1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline
PubChem CID70479212
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline
SMILESC=CCN1NCC2CC3NCCC=C3C=C21
InChIInChI=1S/C13H19N3/c1-2-6-16-13-8-10-4-3-5-14-12(10)7-11(13)9-15-16/h2,4,8,11-12,14-15H,1,3,5-7,9H2
InChIKeyUVJITAJEJJSKFQ-UHFFFAOYSA-N
XLogP1.18
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline?
The IUPAC name of 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline (CID 70479212) is 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline.
What is the SMILES notation for 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline?
The canonical SMILES for 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline is C=CCN1NCC2CC3NCCC=C3C=C21.
What is the InChIKey of 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline?
The InChIKey is UVJITAJEJJSKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-6-16-13-8-10-4-3-5-14-12(10)7-11(13)9-15-16/h2,4,8,11-12,14-15H,1,3,5-7,9H2.
What are the key properties of 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline?
1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline has a molecular weight of 217.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2,3,3a,4,4a,5,6,7-octahydropyrazolo[3,4-g]quinoline is sourced from PubChem (CID 70479212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).