4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine

C14H17N3O3 — CID 68612224

IUPAC4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine
SMILESCn1cc(CN2CCOCC2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H17N3O3/c1-15-9-11(10-16-4-6-20-7-5-16)13-8-12(17(18)19)2-3-14(13)15/h2-3,8-9H,4-7,10H2,1H3
InChIKeyNUVZXQXGEUEJEK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.92
Rot. Bonds3

About 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine

4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine (PubChem CID 68612224) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine
PubChem CID68612224
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine
SMILESCn1cc(CN2CCOCC2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H17N3O3/c1-15-9-11(10-16-4-6-20-7-5-16)13-8-12(17(18)19)2-3-14(13)15/h2-3,8-9H,4-7,10H2,1H3
InChIKeyNUVZXQXGEUEJEK-UHFFFAOYSA-N
XLogP1.92
TPSA60.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
7,13-bis[(2-methoxy-4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 72950986
4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine
CID 89110009
1-(2-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitroindole
CID 10480841
4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117185177
N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 170869990
3-cyclopentyl-1-methyl-5-nitroindole
CID 118352579
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764
4-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117175502
4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine
CID 59592709
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 134021384
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine (CID 68612224) is 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine is Cn1cc(CN2CCOCC2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine?
The InChIKey is NUVZXQXGEUEJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-15-9-11(10-16-4-6-20-7-5-16)13-8-12(17(18)19)2-3-14(13)15/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine?
4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine has a molecular weight of 275.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine is sourced from PubChem (CID 68612224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).