5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole

C18H17N — CID 67733933

IUPAC5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESC=CCN1c2ccccc2C2Cc3ccccc3C21
InChIInChI=1S/C18H17N/c1-2-11-19-17-10-6-5-9-15(17)16-12-13-7-3-4-8-14(13)18(16)19/h2-10,16,18H,1,11-12H2
InChIKeyHQGXEYNXHZGEBA-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.07
Rot. Bonds2

About 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole

5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole (PubChem CID 67733933) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole.

Molecular Properties

Compound Name5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
PubChem CID67733933
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESC=CCN1c2ccccc2C2Cc3ccccc3C21
InChIInChI=1S/C18H17N/c1-2-11-19-17-10-6-5-9-15(17)16-12-13-7-3-4-8-14(13)18(16)19/h2-10,16,18H,1,11-12H2
InChIKeyHQGXEYNXHZGEBA-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.07
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 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The IUPAC name of 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole (CID 67733933) is 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole.
What is the SMILES notation for 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The canonical SMILES for 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole is C=CCN1c2ccccc2C2Cc3ccccc3C21.
What is the InChIKey of 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The InChIKey is HQGXEYNXHZGEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-2-11-19-17-10-6-5-9-15(17)16-12-13-7-3-4-8-14(13)18(16)19/h2-10,16,18H,1,11-12H2.
What are the key properties of 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole has a molecular weight of 247.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-9b,10-dihydro-4bH-indeno[1,2-b]indole is sourced from PubChem (CID 67733933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).