(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C14H17N3O3 — CID 81205975

IUPAC(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1cccc2cc(C(=O)N3CCOC(CO)C3)[nH]c12
InChIInChI=1S/C14H17N3O3/c15-11-3-1-2-9-6-12(16-13(9)11)14(19)17-4-5-20-10(7-17)8-18/h1-3,6,10,16,18H,4-5,7-8,15H2
InChIKeySGBQILCFWZKTHK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.58
Rot. Bonds2

About (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81205975) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81205975
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1cccc2cc(C(=O)N3CCOC(CO)C3)[nH]c12
InChIInChI=1S/C14H17N3O3/c15-11-3-1-2-9-6-12(16-13(9)11)14(19)17-4-5-20-10(7-17)8-18/h1-3,6,10,16,18H,4-5,7-8,15H2
InChIKeySGBQILCFWZKTHK-UHFFFAOYSA-N
XLogP0.58
TPSA91.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63117526
(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206264
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
1-(7-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 63117509
(7-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62058735
(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 63118076
(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585611
1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81208376
4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one
CID 63117488
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971

Frequently Asked Questions

What is the IUPAC name of (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81205975) is (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is Nc1cccc2cc(C(=O)N3CCOC(CO)C3)[nH]c12.
What is the InChIKey of (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is SGBQILCFWZKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-11-3-1-2-9-6-12(16-13(9)11)14(19)17-4-5-20-10(7-17)8-18/h1-3,6,10,16,18H,4-5,7-8,15H2.
What are the key properties of (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 275.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81205975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).