3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole

C16H17N3 — CID 59522850

IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole
SMILESCN1CCC[C@H]1c1cnc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H17N3/c1-19-8-4-7-15(19)11-9-13-12-5-2-3-6-14(12)18-16(13)17-10-11/h2-3,5-6,9-10,15H,4,7-8H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeySRBZUOQRERIWAG-HNNXBMFYSA-N
MW251.33 g/mol
LogP3.48
Rot. Bonds1

About 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole

3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole (PubChem CID 59522850) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole
PubChem CID59522850
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole
SMILESCN1CCC[C@H]1c1cnc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H17N3/c1-19-8-4-7-15(19)11-9-13-12-5-2-3-6-14(12)18-16(13)17-10-11/h2-3,5-6,9-10,15H,4,7-8H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeySRBZUOQRERIWAG-HNNXBMFYSA-N
XLogP3.48
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole (CID 59522850) is 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole is CN1CCC[C@H]1c1cnc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole?
The InChIKey is SRBZUOQRERIWAG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3/c1-19-8-4-7-15(19)11-9-13-12-5-2-3-6-14(12)18-16(13)17-10-11/h2-3,5-6,9-10,15H,4,7-8H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole?
3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole has a molecular weight of 251.33 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 59522850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).