3-[(Z)-but-1-enyl]-2-ethyl-1H-indole

C14H17N — CID 143650330

IUPAC3-[(Z)-but-1-enyl]-2-ethyl-1H-indole
SMILESCC/C=C\c1c(CC)[nH]c2ccccc12
InChIInChI=1S/C14H17N/c1-3-5-8-11-12-9-6-7-10-14(12)15-13(11)4-2/h5-10,15H,3-4H2,1-2H3/b8-5-
InChIKeyOFPKCQXUDFAEJK-YVMONPNESA-N
MW199.30 g/mol
LogP4.15
Rot. Bonds3

About 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole

3-[(Z)-but-1-enyl]-2-ethyl-1H-indole (PubChem CID 143650330) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-2-ethyl-1H-indole
PubChem CID143650330
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-[(Z)-but-1-enyl]-2-ethyl-1H-indole
SMILESCC/C=C\c1c(CC)[nH]c2ccccc12
InChIInChI=1S/C14H17N/c1-3-5-8-11-12-9-6-7-10-14(12)15-13(11)4-2/h5-10,15H,3-4H2,1-2H3/b8-5-
InChIKeyOFPKCQXUDFAEJK-YVMONPNESA-N
XLogP4.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole
CID 102241290
4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one
CID 142398582
3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole
CID 102241289
2,3-diethyl-1H-indole;hydrate
CID 70606554
2-ethyl-3-(trifluoromethyl)-1H-indole
CID 147285687
bis(9H-carbazole);propane
CID 90987002
2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 132502200
3-ethyl-2-propyl-1H-indole
CID 65335384
(E)-6-(2-methyl-1H-indol-3-yl)hex-5-enoic acid
CID 82293705
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
2-benzyl-3-ethyl-1H-indole
CID 13115106
1,2-diethyl-3H-benzo[e]indole
CID 175675424

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole?
The IUPAC name of 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole (CID 143650330) is 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole?
The canonical SMILES for 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole is CC/C=C\c1c(CC)[nH]c2ccccc12.
What is the InChIKey of 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole?
The InChIKey is OFPKCQXUDFAEJK-YVMONPNESA-N. The full InChI is InChI=1S/C14H17N/c1-3-5-8-11-12-9-6-7-10-14(12)15-13(11)4-2/h5-10,15H,3-4H2,1-2H3/b8-5-.
What are the key properties of 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole?
3-[(Z)-but-1-enyl]-2-ethyl-1H-indole has a molecular weight of 199.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-2-ethyl-1H-indole is sourced from PubChem (CID 143650330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).