(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone

C15H19N3O2 — CID 61093708

IUPAC(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2c[nH]c3cc(N)ccc23)CCO1
InChIInChI=1S/C15H19N3O2/c1-15(2)9-18(5-6-20-15)14(19)12-8-17-13-7-10(16)3-4-11(12)13/h3-4,7-8,17H,5-6,9,16H2,1-2H3
InChIKeyPQMMUUPHLWKFJP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.00
Rot. Bonds1

About (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone

(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 61093708) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID61093708
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2c[nH]c3cc(N)ccc23)CCO1
InChIInChI=1S/C15H19N3O2/c1-15(2)9-18(5-6-20-15)14(19)12-8-17-13-7-10(16)3-4-11(12)13/h3-4,7-8,17H,5-6,9,16H2,1-2H3
InChIKeyPQMMUUPHLWKFJP-UHFFFAOYSA-N
XLogP2.00
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667079
(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504928
4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile
CID 79664535
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
4-(6-amino-1H-indole-3-carbonyl)-1,4-diazepan-2-one
CID 65360926
(6-amino-2-pyridinyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 55052527
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107872264
6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide
CID 83012813
(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156979
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386

Frequently Asked Questions

What is the IUPAC name of (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 61093708) is (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2c[nH]c3cc(N)ccc23)CCO1.
What is the InChIKey of (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is PQMMUUPHLWKFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2)9-18(5-6-20-15)14(19)12-8-17-13-7-10(16)3-4-11(12)13/h3-4,7-8,17H,5-6,9,16H2,1-2H3.
What are the key properties of (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
(6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 61093708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).