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'}

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Related Compounds

9-ethyl-3-nitro-9H-carbazole
CID 66573
9H-Carbazole, 9-methyl-3-nitro-
CID 148931
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
9-(Morpholinomethyl)carbazole
CID 1713692
N-(9-Ethyl-9H-carbazol-3-yl)-3-morpholin-4-yl-propionamide
CID 22458813
N-(9-ethyl-9H-carbazol-3-yl)-4-morpholinecarboxamide
CID 1639804
2-(3-nitro-9H-carbazol-9-yl)ethanol
CID 1918739
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
3-nitro-9-isopropyl-9H-carbazole
CID 617471
4-(1-ethyl-9H-carbazol-3-yl)morpholine
CID 663297
1-Morpholin-4-yl-3-(1,2,3,4-tetrahydro-carbazol-9-yl)-propan-2-ol
CID 14415827
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethyl-1H-indol-1-yl)propan-2-ol
CID 16188855

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).