2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole

C16H23N — CID 131859578

IUPAC2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole
SMILESCC=CC(C)N1c2ccccc2C(C)C1CC
InChIInChI=1S/C16H23N/c1-5-9-12(3)17-15(6-2)13(4)14-10-7-8-11-16(14)17/h5,7-13,15H,6H2,1-4H3
InChIKeyAZRUVBPVKMVYFZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.35
Rot. Bonds3

About 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole

2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole (PubChem CID 131859578) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole
PubChem CID131859578
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole
SMILESCC=CC(C)N1c2ccccc2C(C)C1CC
InChIInChI=1S/C16H23N/c1-5-9-12(3)17-15(6-2)13(4)14-10-7-8-11-16(14)17/h5,7-13,15H,6H2,1-4H3
InChIKeyAZRUVBPVKMVYFZ-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.35
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

Dicarbine
CID 65684
Indoline
CID 10328
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
2-Methylindoline
CID 23305
Sdz ser-082
CID 9859407
Benzenamine, N,N-diethyl-2-methyl-
CID 69075
1,3-Dihydro-1-methyl-2H-indole-2-thione
CID 26156
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole?
The IUPAC name of 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole (CID 131859578) is 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole.
What is the SMILES notation for 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole?
The canonical SMILES for 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole is CC=CC(C)N1c2ccccc2C(C)C1CC.
What is the InChIKey of 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole?
The InChIKey is AZRUVBPVKMVYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-5-9-12(3)17-15(6-2)13(4)14-10-7-8-11-16(14)17/h5,7-13,15H,6H2,1-4H3.
What are the key properties of 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole?
2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole has a molecular weight of 229.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-pent-3-en-2-yl-2,3-dihydroindole is sourced from PubChem (CID 131859578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).