4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine

C15H19N3O2 — CID 89109991

IUPAC4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine
SMILESCc1c(CN2CCOCC2)c2cc(N=O)ccc2n1C
InChIInChI=1S/C15H19N3O2/c1-11-14(10-18-5-7-20-8-6-18)13-9-12(16-19)3-4-15(13)17(11)2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyMAXXPKGNCYDTSO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.72
Rot. Bonds3

About 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine

4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine (PubChem CID 89109991) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine
PubChem CID89109991
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine
SMILESCc1c(CN2CCOCC2)c2cc(N=O)ccc2n1C
InChIInChI=1S/C15H19N3O2/c1-11-14(10-18-5-7-20-8-6-18)13-9-12(16-19)3-4-15(13)17(11)2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyMAXXPKGNCYDTSO-UHFFFAOYSA-N
XLogP2.72
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine (CID 89109991) is 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine is Cc1c(CN2CCOCC2)c2cc(N=O)ccc2n1C.
What is the InChIKey of 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine?
The InChIKey is MAXXPKGNCYDTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-14(10-18-5-7-20-8-6-18)13-9-12(16-19)3-4-15(13)17(11)2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine?
4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine is sourced from PubChem (CID 89109991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).