1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one

C15H16N2O2 — CID 58408731

IUPAC1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc2c([nH]1)[nH]c1cc(O)ccc12
InChIInChI=1S/C15H16N2O2/c1-15(2,3)13(19)12-7-10-9-5-4-8(18)6-11(9)16-14(10)17-12/h4-7,16-18H,1-3H3
InChIKeyJZQSCLJJLDOPEQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.58
Rot. Bonds1

About 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one

1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 58408731) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
PubChem CID58408731
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc2c([nH]1)[nH]c1cc(O)ccc12
InChIInChI=1S/C15H16N2O2/c1-15(2,3)13(19)12-7-10-9-5-4-8(18)6-11(9)16-14(10)17-12/h4-7,16-18H,1-3H3
InChIKeyJZQSCLJJLDOPEQ-UHFFFAOYSA-N
XLogP3.58
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one (CID 58408731) is 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc2c([nH]1)[nH]c1cc(O)ccc12.
What is the InChIKey of 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is JZQSCLJJLDOPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-15(2,3)13(19)12-7-10-9-5-4-8(18)6-11(9)16-14(10)17-12/h4-7,16-18H,1-3H3.
What are the key properties of 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one?
1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 256.31 g/mol, XLogP of 3.58, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-3,4-dihydropyrrolo[2,3-b]indol-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58408731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).