5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline

C14H22N2 — CID 20554698

IUPAC5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline
SMILESC=CCC1C2CCCN=C2CC2CNCC21
InChIInChI=1S/C14H22N2/c1-2-4-11-12-5-3-6-16-14(12)7-10-8-15-9-13(10)11/h2,10-13,15H,1,3-9H2
InChIKeyZARMWZAEAAYHGN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.27
Rot. Bonds2

About 5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline

5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline (PubChem CID 20554698) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline.

Molecular Properties

Compound Name5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline
PubChem CID20554698
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline
SMILESC=CCC1C2CCCN=C2CC2CNCC21
InChIInChI=1S/C14H22N2/c1-2-4-11-12-5-3-6-16-14(12)7-10-8-15-9-13(10)11/h2,10-13,15H,1,3-9H2
InChIKeyZARMWZAEAAYHGN-UHFFFAOYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline?
The IUPAC name of 5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline (CID 20554698) is 5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline.
What is the SMILES notation for 5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline?
The canonical SMILES for 5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline is C=CCC1C2CCCN=C2CC2CNCC21.
What is the InChIKey of 5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline?
The InChIKey is ZARMWZAEAAYHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-4-11-12-5-3-6-16-14(12)7-10-8-15-9-13(10)11/h2,10-13,15H,1,3-9H2.
What are the key properties of 5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline?
5-prop-2-enyl-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline has a molecular weight of 218.34 g/mol, XLogP of 2.27, 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-3,4,4a,5,5a,6,7,8,8a,9-decahydro-2H-pyrrolo[3,4-g]quinoline is sourced from PubChem (CID 20554698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).