11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole

C17H21N — CID 102406838

IUPAC11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole
SMILESC=CCC12CCCCCCC1=Nc1ccccc12
InChIInChI=1S/C17H21N/c1-2-12-17-13-8-4-3-5-11-16(17)18-15-10-7-6-9-14(15)17/h2,6-7,9-10H,1,3-5,8,11-13H2
InChIKeyIRVDLAOXHFXOCE-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.94
Rot. Bonds2

About 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole

11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole (PubChem CID 102406838) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole.

Molecular Properties

Compound Name11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole
PubChem CID102406838
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole
SMILESC=CCC12CCCCCCC1=Nc1ccccc12
InChIInChI=1S/C17H21N/c1-2-12-17-13-8-4-3-5-11-16(17)18-15-10-7-6-9-14(15)17/h2,6-7,9-10H,1,3-5,8,11-13H2
InChIKeyIRVDLAOXHFXOCE-UHFFFAOYSA-N
XLogP4.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 86212741
1-(2-phenylethynyl)-2-(1-prop-2-enylcyclohexyl)benzene
CID 18329525
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CID 70163362
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
3,3,4,4-tetrakis(prop-2-enyl)-1,2-dihydronaphthalene
CID 173371645
N-(1-prop-2-enylcyclohexyl)aniline
CID 599883
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CID 10353080
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CID 22295680
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Frequently Asked Questions

What is the IUPAC name of 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole?
The IUPAC name of 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole (CID 102406838) is 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole.
What is the SMILES notation for 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole?
The canonical SMILES for 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole is C=CCC12CCCCCCC1=Nc1ccccc12.
What is the InChIKey of 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole?
The InChIKey is IRVDLAOXHFXOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-12-17-13-8-4-3-5-11-16(17)18-15-10-7-6-9-14(15)17/h2,6-7,9-10H,1,3-5,8,11-13H2.
What are the key properties of 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole?
11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole has a molecular weight of 239.36 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11a-prop-2-enyl-6,7,8,9,10,11-hexahydrocycloocta[b]indole is sourced from PubChem (CID 102406838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).