5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole

C12H14N2O — CID 141128879

IUPAC5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole
SMILESc1cc2cc(O[C@H]3CCNC3)ccc2[nH]1
InChIInChI=1S/C12H14N2O/c1-2-12-9(3-6-14-12)7-10(1)15-11-4-5-13-8-11/h1-3,6-7,11,13-14H,4-5,8H2/t11-/m0/s1
InChIKeyFFOXQKAFIBMQAP-NSHDSACASA-N
MW202.26 g/mol
LogP1.91
Rot. Bonds2

About 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole

5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole (PubChem CID 141128879) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole.

Molecular Properties

Compound Name5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole
PubChem CID141128879
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole
SMILESc1cc2cc(O[C@H]3CCNC3)ccc2[nH]1
InChIInChI=1S/C12H14N2O/c1-2-12-9(3-6-14-12)7-10(1)15-11-4-5-13-8-11/h1-3,6-7,11,13-14H,4-5,8H2/t11-/m0/s1
InChIKeyFFOXQKAFIBMQAP-NSHDSACASA-N
XLogP1.91
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole?
The IUPAC name of 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole (CID 141128879) is 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole.
What is the SMILES notation for 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole?
The canonical SMILES for 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole is c1cc2cc(O[C@H]3CCNC3)ccc2[nH]1.
What is the InChIKey of 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole?
The InChIKey is FFOXQKAFIBMQAP-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-12-9(3-6-14-12)7-10(1)15-11-4-5-13-8-11/h1-3,6-7,11,13-14H,4-5,8H2/t11-/m0/s1.
What are the key properties of 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole?
5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole has a molecular weight of 202.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole is sourced from PubChem (CID 141128879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).