3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole

C15H19N — CID 18988825

IUPAC3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
SMILESC=CCN1CCC2c3ccccc3CCC21
InChIInChI=1S/C15H19N/c1-2-10-16-11-9-14-13-6-4-3-5-12(13)7-8-15(14)16/h2-6,14-15H,1,7-11H2
InChIKeyKJAVUVIRTPBAPJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.98
Rot. Bonds2

About 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole

3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole (PubChem CID 18988825) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole.

Molecular Properties

Compound Name3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
PubChem CID18988825
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
SMILESC=CCN1CCC2c3ccccc3CCC21
InChIInChI=1S/C15H19N/c1-2-10-16-11-9-14-13-6-4-3-5-12(13)7-8-15(14)16/h2-6,14-15H,1,7-11H2
InChIKeyKJAVUVIRTPBAPJ-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole?
The IUPAC name of 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole (CID 18988825) is 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole.
What is the SMILES notation for 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole?
The canonical SMILES for 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole is C=CCN1CCC2c3ccccc3CCC21.
What is the InChIKey of 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole?
The InChIKey is KJAVUVIRTPBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-10-16-11-9-14-13-6-4-3-5-12(13)7-8-15(14)16/h2-6,14-15H,1,7-11H2.
What are the key properties of 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole?
3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole has a molecular weight of 213.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole is sourced from PubChem (CID 18988825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).