(2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol

C16H24N2O — CID 165150379

IUPAC(2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
SMILESCC(C)[C@@H]1C[C@@]2(O)c3ccccc3N[C@H]2N1C(C)C
InChIInChI=1S/C16H24N2O/c1-10(2)14-9-16(19)12-7-5-6-8-13(12)17-15(16)18(14)11(3)4/h5-8,10-11,14-15,17,19H,9H2,1-4H3/t14-,15-,16+/m0/s1
InChIKeyUJYMQNGVSFWYHM-HRCADAONSA-N
MW260.38 g/mol
LogP2.76
Rot. Bonds2

About (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol

(2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol (PubChem CID 165150379) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol.

Molecular Properties

Compound Name(2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
PubChem CID165150379
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol
SMILESCC(C)[C@@H]1C[C@@]2(O)c3ccccc3N[C@H]2N1C(C)C
InChIInChI=1S/C16H24N2O/c1-10(2)14-9-16(19)12-7-5-6-8-13(12)17-15(16)18(14)11(3)4/h5-8,10-11,14-15,17,19H,9H2,1-4H3/t14-,15-,16+/m0/s1
InChIKeyUJYMQNGVSFWYHM-HRCADAONSA-N
XLogP2.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol?
The IUPAC name of (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol (CID 165150379) is (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol.
What is the SMILES notation for (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol?
The canonical SMILES for (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol is CC(C)[C@@H]1C[C@@]2(O)c3ccccc3N[C@H]2N1C(C)C.
What is the InChIKey of (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol?
The InChIKey is UJYMQNGVSFWYHM-HRCADAONSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10(2)14-9-16(19)12-7-5-6-8-13(12)17-15(16)18(14)11(3)4/h5-8,10-11,14-15,17,19H,9H2,1-4H3/t14-,15-,16+/m0/s1.
What are the key properties of (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol?
(2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol has a molecular weight of 260.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,8bR)-2,3-di(propan-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol is sourced from PubChem (CID 165150379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).