1,3-di(propan-2-yl)indole-7-carboxylic acid

C15H19NO2 — CID 83945414

IUPAC1,3-di(propan-2-yl)indole-7-carboxylic acid
SMILESCC(C)c1cn(C(C)C)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H19NO2/c1-9(2)13-8-16(10(3)4)14-11(13)6-5-7-12(14)15(17)18/h5-10H,1-4H3,(H,17,18)
InChIKeyYQBUXZFEFQDQGR-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.04
Rot. Bonds3

About 1,3-di(propan-2-yl)indole-7-carboxylic acid

1,3-di(propan-2-yl)indole-7-carboxylic acid (PubChem CID 83945414) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)indole-7-carboxylic acid.

Molecular Properties

Compound Name1,3-di(propan-2-yl)indole-7-carboxylic acid
PubChem CID83945414
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1,3-di(propan-2-yl)indole-7-carboxylic acid
SMILESCC(C)c1cn(C(C)C)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H19NO2/c1-9(2)13-8-16(10(3)4)14-11(13)6-5-7-12(14)15(17)18/h5-10H,1-4H3,(H,17,18)
InChIKeyYQBUXZFEFQDQGR-UHFFFAOYSA-N
XLogP4.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83945413
2-(7-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117197460
3-oxo-1-propan-2-yl-2,1-benzoxazole-7-carboxylic acid
CID 105477060
8-bromo-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252685
2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid
CID 115073490
1-methyl-3-(propan-2-ylsulfonylmethyl)indole-7-carboxylic acid
CID 117182128
1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
CID 83945440
7-tert-butyl-1,3-di(propan-2-yl)indole-5-carboxylic acid
CID 83945610
5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 83946162
1-(benzenesulfonyl)-7-propan-2-ylindole-3-carboxylic acid
CID 59596750
1,2,3-trimethylindole-7-carboxylic acid
CID 83963607
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)indole-7-carboxylic acid?
The IUPAC name of 1,3-di(propan-2-yl)indole-7-carboxylic acid (CID 83945414) is 1,3-di(propan-2-yl)indole-7-carboxylic acid.
What is the SMILES notation for 1,3-di(propan-2-yl)indole-7-carboxylic acid?
The canonical SMILES for 1,3-di(propan-2-yl)indole-7-carboxylic acid is CC(C)c1cn(C(C)C)c2c(C(=O)O)cccc12.
What is the InChIKey of 1,3-di(propan-2-yl)indole-7-carboxylic acid?
The InChIKey is YQBUXZFEFQDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)13-8-16(10(3)4)14-11(13)6-5-7-12(14)15(17)18/h5-10H,1-4H3,(H,17,18).
What are the key properties of 1,3-di(propan-2-yl)indole-7-carboxylic acid?
1,3-di(propan-2-yl)indole-7-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)indole-7-carboxylic acid is sourced from PubChem (CID 83945414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).