(2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol

C19H19Br3N2O — CID 1214981

IUPAC(2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol
SMILESO[C@@H](CN1CCCC1)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21
InChIInChI=1S/C19H19Br3N2O/c20-12-3-4-18-15(7-12)16-8-13(21)9-17(22)19(16)24(18)11-14(25)10-23-5-1-2-6-23/h3-4,7-9,14,25H,1-2,5-6,10-11H2/t14-/m0/s1
InChIKeyDRVRSGNPQJRSMD-AWEZNQCLSA-N
MW531.09 g/mol
LogP5.54
Rot. Bonds4

About (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol

(2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol (PubChem CID 1214981) has the molecular formula C19H19Br3N2O and a molecular weight of 531.09 g/mol. Its IUPAC name is (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol
PubChem CID1214981
Molecular FormulaC19H19Br3N2O
Molecular Weight531.09 g/mol
Exact Mass527.90
IUPAC Name(2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol
SMILESO[C@@H](CN1CCCC1)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21
InChIInChI=1S/C19H19Br3N2O/c20-12-3-4-18-15(7-12)16-8-13(21)9-17(22)19(16)24(18)11-14(25)10-23-5-1-2-6-23/h3-4,7-9,14,25H,1-2,5-6,10-11H2/t14-/m0/s1
InChIKeyDRVRSGNPQJRSMD-AWEZNQCLSA-N
XLogP5.54
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.09
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol?
The IUPAC name of (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol (CID 1214981) is (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol is O[C@@H](CN1CCCC1)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21.
What is the InChIKey of (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol?
The InChIKey is DRVRSGNPQJRSMD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19Br3N2O/c20-12-3-4-18-15(7-12)16-8-13(21)9-17(22)19(16)24(18)11-14(25)10-23-5-1-2-6-23/h3-4,7-9,14,25H,1-2,5-6,10-11H2/t14-/m0/s1.
What are the key properties of (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol?
(2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol has a molecular weight of 531.09 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyrrolidin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 1214981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).