2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole

C16H21N — CID 134967037

IUPAC2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole
SMILESCC(C)/C=C(\c1cc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C16H21N/c1-11(2)9-14(12(3)4)16-10-13-7-5-6-8-15(13)17-16/h5-12,17H,1-4H3/b14-9-
InChIKeySBODJBWAAYQHQC-ZROIWOOFSA-N
MW227.35 g/mol
LogP4.86
Rot. Bonds3

About 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole

2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole (PubChem CID 134967037) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole.

Molecular Properties

Compound Name2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole
PubChem CID134967037
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole
SMILESCC(C)/C=C(\c1cc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C16H21N/c1-11(2)9-14(12(3)4)16-10-13-7-5-6-8-15(13)17-16/h5-12,17H,1-4H3/b14-9-
InChIKeySBODJBWAAYQHQC-ZROIWOOFSA-N
XLogP4.86
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole
CID 155367147
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
CID 58100929
CID 58100929
2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
CID 141243954
1H-indole-2-carbothioic S-acid
CID 4713092
2-but-1-en-2-yl-1H-indole
CID 23105124
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
(2Z,4Z)-3-(1H-indol-2-yl)hexa-2,4-dien-2-amine
CID 167244091
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 61040144
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 55026359

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole?
The IUPAC name of 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole (CID 134967037) is 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole.
What is the SMILES notation for 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole?
The canonical SMILES for 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole is CC(C)/C=C(\c1cc2ccccc2[nH]1)C(C)C.
What is the InChIKey of 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole?
The InChIKey is SBODJBWAAYQHQC-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H21N/c1-11(2)9-14(12(3)4)16-10-13-7-5-6-8-15(13)17-16/h5-12,17H,1-4H3/b14-9-.
What are the key properties of 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole?
2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole has a molecular weight of 227.35 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole is sourced from PubChem (CID 134967037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).