2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid

C16H23NO2 — CID 91464048

IUPAC2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCCCCCN1c2ccccc2C(CC(=O)O)C1C
InChIInChI=1S/C16H23NO2/c1-3-4-7-10-17-12(2)14(11-16(18)19)13-8-5-6-9-15(13)17/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,18,19)
InChIKeyRDVNLNOHJOAZBH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.64
Rot. Bonds6

About 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid

2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid (PubChem CID 91464048) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid
PubChem CID91464048
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCCCCCN1c2ccccc2C(CC(=O)O)C1C
InChIInChI=1S/C16H23NO2/c1-3-4-7-10-17-12(2)14(11-16(18)19)13-8-5-6-9-15(13)17/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,18,19)
InChIKeyRDVNLNOHJOAZBH-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-1-propyl-2,3-dihydroindole
CID 161026697
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 70861221
2-bromo-1,3-dihexadecyl-2H-benzimidazole
CID 175104565
1-(pentylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566149
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889
(2-oxo-1-pentyl-3H-indol-3-yl)carbamic acid
CID 69107894
(2S,3S,4S)-4-azido-1-ethyl-3-pentyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 174228482
2-(2-oxo-1-pentyl-5H-4,1-benzoxazepin-3-yl)acetic acid
CID 140970258
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
decane;phthalic acid
CID 158763790
1,3-bis(1-butyl-3,3-dimethyl-2H-indol-2-yl)propan-2-one
CID 59773729

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid (CID 91464048) is 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid is CCCCCN1c2ccccc2C(CC(=O)O)C1C.
What is the InChIKey of 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid?
The InChIKey is RDVNLNOHJOAZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-7-10-17-12(2)14(11-16(18)19)13-8-5-6-9-15(13)17/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid?
2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 91464048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).