5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole

C21H28FN — CID 146357696

IUPAC5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole
SMILESC=C(CCC)C1CCCc2c1c1c(CC)cccc1n2CCF
InChIInChI=1S/C21H28FN/c1-4-8-15(3)17-10-7-12-19-21(17)20-16(5-2)9-6-11-18(20)23(19)14-13-22/h6,9,11,17H,3-5,7-8,10,12-14H2,1-2H3
InChIKeyAYRJWIMLKXGWGU-UHFFFAOYSA-N
MW313.46 g/mol
LogP5.95
Rot. Bonds6

About 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole

5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole (PubChem CID 146357696) has the molecular formula C21H28FN and a molecular weight of 313.46 g/mol. Its IUPAC name is 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole
PubChem CID146357696
Molecular FormulaC21H28FN
Molecular Weight313.46 g/mol
Exact Mass313.22
IUPAC Name5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole
SMILESC=C(CCC)C1CCCc2c1c1c(CC)cccc1n2CCF
InChIInChI=1S/C21H28FN/c1-4-8-15(3)17-10-7-12-19-21(17)20-16(5-2)9-6-11-18(20)23(19)14-13-22/h6,9,11,17H,3-5,7-8,10,12-14H2,1-2H3
InChIKeyAYRJWIMLKXGWGU-UHFFFAOYSA-N
XLogP5.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.46
LogP ≤ 55.95
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-(2-(18F)fluoroethyl)-N,N-dihexyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57397041
[9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-piperidin-1-ylmethanone
CID 57392496
ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
CID 91537262
6-ethoxy-N,N-diethyl-9-(2-(18F)fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57395887
N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
CID 57395968
2-[(4S)-4-(diethylcarbamoyl)-1,2,3,4-tetrahydrocarbazol-9-yl]ethyl thiohypofluorite;methoxymethane
CID 145093366
9-benzyl-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 22739584
9-(2-phenylmethoxyethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 66679594
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
9-ethyl-4,5-dimethyl-1,2,3,4-tetrahydrocarbazole
CID 59934239
3-[(4-butylpiperazin-1-yl)methyl]-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one
CID 159747048
1-[9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-4-yl]-4-phenylbutan-1-one
CID 165018573

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole (CID 146357696) is 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole is C=C(CCC)C1CCCc2c1c1c(CC)cccc1n2CCF.
What is the InChIKey of 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is AYRJWIMLKXGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN/c1-4-8-15(3)17-10-7-12-19-21(17)20-16(5-2)9-6-11-18(20)23(19)14-13-22/h6,9,11,17H,3-5,7-8,10,12-14H2,1-2H3.
What are the key properties of 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole?
5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 313.46 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9-(2-fluoroethyl)-4-pent-1-en-2-yl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 146357696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).