1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid

C16H20N2O2 — CID 117174090

IUPAC1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid
SMILESCCn1c(CN2CCCC2)cc2c(C(=O)O)cccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-12(11-17-8-3-4-9-17)10-14-13(16(19)20)6-5-7-15(14)18/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyDJZSXSZKHBDLAQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.96
Rot. Bonds4

About 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid

1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid (PubChem CID 117174090) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid
PubChem CID117174090
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid
SMILESCCn1c(CN2CCCC2)cc2c(C(=O)O)cccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-12(11-17-8-3-4-9-17)10-14-13(16(19)20)6-5-7-15(14)18/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyDJZSXSZKHBDLAQ-UHFFFAOYSA-N
XLogP2.96
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(piperidin-1-ylmethyl)indole-4-carboxylic acid
CID 117173514
1-ethyl-2-[(4-fluorophenoxy)methyl]indole-4-carboxylic acid
CID 117174116
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 43316574
6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117180580
3-(azepan-1-ylmethyl)-1-methylindole-4-carboxylic acid
CID 117171543
1-propan-2-yl-2-(sulfanylmethyl)indole-4-carboxylic acid
CID 117174139
5-methyl-2-(pyrrolidin-1-ylmethyl)benzoic acid
CID 117220857
1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid
CID 117217240
1-ethyl-4-methylindole-2-carboxylic acid
CID 53408213
1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine
CID 117173126
4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide
CID 38104347
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38842169

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid?
The IUPAC name of 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid (CID 117174090) is 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid is CCn1c(CN2CCCC2)cc2c(C(=O)O)cccc21.
What is the InChIKey of 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid?
The InChIKey is DJZSXSZKHBDLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18-12(11-17-8-3-4-9-17)10-14-13(16(19)20)6-5-7-15(14)18/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,20).
What are the key properties of 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid?
1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid is sourced from PubChem (CID 117174090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).