5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole

C17H24N2 — CID 10912152

IUPAC5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
SMILESCC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
InChIInChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3
InChIKeyBCHGFZYQLYUXBO-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.93
Rot. Bonds4

About 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole

5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole (PubChem CID 10912152) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
PubChem CID10912152
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
SMILESCC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
InChIInChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3
InChIKeyBCHGFZYQLYUXBO-UHFFFAOYSA-N
XLogP3.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The IUPAC name of 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole (CID 10912152) is 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole.
What is the SMILES notation for 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The canonical SMILES for 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole is CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1.
What is the InChIKey of 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
The InChIKey is BCHGFZYQLYUXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole?
5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole has a molecular weight of 256.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole is sourced from PubChem (CID 10912152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).