(7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C15H19N3O2 — CID 107210797

IUPAC(7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2cc3cccc(N)c3[nH]2)C1
InChIInChI=1S/C15H19N3O2/c1-9(2)15(20)7-18(8-15)14(19)12-6-10-4-3-5-11(16)13(10)17-12/h3-6,9,17,20H,7-8,16H2,1-2H3
InChIKeyWWUMSOZOUOCFGP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.59
Rot. Bonds2

About (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

(7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 107210797) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID107210797
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCC(C)C1(O)CN(C(=O)c2cc3cccc(N)c3[nH]2)C1
InChIInChI=1S/C15H19N3O2/c1-9(2)15(20)7-18(8-15)14(19)12-6-10-4-3-5-11(16)13(10)17-12/h3-6,9,17,20H,7-8,16H2,1-2H3
InChIKeyWWUMSOZOUOCFGP-UHFFFAOYSA-N
XLogP1.59
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 107210797) is (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is CC(C)C1(O)CN(C(=O)c2cc3cccc(N)c3[nH]2)C1.
What is the InChIKey of (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is WWUMSOZOUOCFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)15(20)7-18(8-15)14(19)12-6-10-4-3-5-11(16)13(10)17-12/h3-6,9,17,20H,7-8,16H2,1-2H3.
What are the key properties of (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
(7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 107210797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).