1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid

C15H18N2O2 — CID 43316574

IUPAC1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ccn2CCN1CCCC1
InChIInChI=1S/C15H18N2O2/c18-15(19)13-4-3-5-14-12(13)6-9-17(14)11-10-16-7-1-2-8-16/h3-6,9H,1-2,7-8,10-11H2,(H,18,19)
InChIKeyIZTXNIHAPRMTMZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.44
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid

1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid (PubChem CID 43316574) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
PubChem CID43316574
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ccn2CCN1CCCC1
InChIInChI=1S/C15H18N2O2/c18-15(19)13-4-3-5-14-12(13)6-9-17(14)11-10-16-7-1-2-8-16/h3-6,9H,1-2,7-8,10-11H2,(H,18,19)
InChIKeyIZTXNIHAPRMTMZ-UHFFFAOYSA-N
XLogP2.44
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
1-[2-(4-methylphenyl)ethyl]indole-4-carboxylic acid
CID 67086782
1-(2-propoxyethyl)indole-4-carboxylic acid
CID 106453856
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
1-[(E)-but-2-enyl]indole-4-carboxylic acid
CID 43316639
1-[(Z)-3-chloro-2-methylprop-2-enyl]indole-4-carboxylic acid
CID 106438900
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
1-(2,2,3,3,3-pentafluoropropyl)indole-4-carboxylic acid
CID 121494134
4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole
CID 167921071
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid (CID 43316574) is 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid is O=C(O)c1cccc2c1ccn2CCN1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
The InChIKey is IZTXNIHAPRMTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19)13-4-3-5-14-12(13)6-9-17(14)11-10-16-7-1-2-8-16/h3-6,9H,1-2,7-8,10-11H2,(H,18,19).
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid is sourced from PubChem (CID 43316574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).