[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone

C14H16N2O3 — CID 112531994

IUPAC[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCOCC1CO
InChIInChI=1S/C14H16N2O3/c17-8-12-9-19-6-5-16(12)14(18)11-2-1-10-3-4-15-13(10)7-11/h1-4,7,12,15,17H,5-6,8-9H2
InChIKeyLOCKFCWHUROZBC-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.00
Rot. Bonds2

About [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone

[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone (PubChem CID 112531994) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
PubChem CID112531994
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCOCC1CO
InChIInChI=1S/C14H16N2O3/c17-8-12-9-19-6-5-16(12)14(18)11-2-1-10-3-4-15-13(10)7-11/h1-4,7,12,15,17H,5-6,8-9H2
InChIKeyLOCKFCWHUROZBC-UHFFFAOYSA-N
XLogP1.00
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
CID 124513582
1H-indol-6-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129474082
[3-(2-fluorophenyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 91790121
6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 102712814
4-[(3S)-3-(hydroxymethyl)morpholine-4-carbonyl]benzonitrile
CID 97040212
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1H-indol-6-yl)methanone
CID 51088257
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(1H-indol-6-yl)methanone
CID 94613419
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone (CID 112531994) is [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone is O=C(c1ccc2cc[nH]c2c1)N1CCOCC1CO.
What is the InChIKey of [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone?
The InChIKey is LOCKFCWHUROZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-8-12-9-19-6-5-16(12)14(18)11-2-1-10-3-4-15-13(10)7-11/h1-4,7,12,15,17H,5-6,8-9H2.
What are the key properties of [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone?
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone has a molecular weight of 260.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 112531994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).