3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole

C17H19N — CID 132510291

IUPAC3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole
SMILESC=CCC1CCc2c1n(CC=C)c1ccccc21
InChIInChI=1S/C17H19N/c1-3-7-13-10-11-15-14-8-5-6-9-16(14)18(12-4-2)17(13)15/h3-6,8-9,13H,1-2,7,10-12H2
InChIKeyXBJKCBKKZFOCSD-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.43
Rot. Bonds4

About 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole

3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole (PubChem CID 132510291) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole
PubChem CID132510291
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole
SMILESC=CCC1CCc2c1n(CC=C)c1ccccc21
InChIInChI=1S/C17H19N/c1-3-7-13-10-11-15-14-8-5-6-9-16(14)18(12-4-2)17(13)15/h3-6,8-9,13H,1-2,7,10-12H2
InChIKeyXBJKCBKKZFOCSD-UHFFFAOYSA-N
XLogP4.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.43
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

9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole
CID 102361610
6-prop-2-enyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-5-ol
CID 70412967
9-prop-2-enyl-3,4-dihydrocarbazole
CID 163625647
(6R,12bS)-6-(hydroxymethyl)-12-prop-2-enyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one
CID 57402863
4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene
CID 155929556
9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 14845123
5-prop-2-enyl-10H-indeno[1,2-b]indole
CID 18424932
but-2-enedioic acid;3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-enyl-2,3-dihydro-1H-carbazol-4-one
CID 67885839
[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium
CID 11429221
9-prop-2-enylpyrido[3,4-b]indole
CID 53258041
2-(3,6-dibenzyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-5-yl)acetaldehyde
CID 91136598
2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol
CID 3027993

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole?
The IUPAC name of 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole (CID 132510291) is 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole?
The canonical SMILES for 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole is C=CCC1CCc2c1n(CC=C)c1ccccc21.
What is the InChIKey of 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole?
The InChIKey is XBJKCBKKZFOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-3-7-13-10-11-15-14-8-5-6-9-16(14)18(12-4-2)17(13)15/h3-6,8-9,13H,1-2,7,10-12H2.
What are the key properties of 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole?
3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole has a molecular weight of 237.35 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 132510291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).