5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole

C15H22N2O2 — CID 167253761

IUPAC5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole
SMILESCC(C)N1CCc2cc(OCC(C)(C)N=O)ccc21
InChIInChI=1S/C15H22N2O2/c1-11(2)17-8-7-12-9-13(5-6-14(12)17)19-10-15(3,4)16-18/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyDGVVREDGLYQVCW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.38
Rot. Bonds5

About 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole

5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole (PubChem CID 167253761) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole
PubChem CID167253761
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole
SMILESCC(C)N1CCc2cc(OCC(C)(C)N=O)ccc21
InChIInChI=1S/C15H22N2O2/c1-11(2)17-8-7-12-9-13(5-6-14(12)17)19-10-15(3,4)16-18/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyDGVVREDGLYQVCW-UHFFFAOYSA-N
XLogP3.38
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-5-methoxy-2,3-dihydroindole
CID 134286495
1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 146522036
(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
CID 115114830
1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
CID 118564551
3-methyl-7-(2,2,2-trifluoroethoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 59257929
(2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
CID 66510884
2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 170880224
9-(2,2-dimethylpropoxy)-2-ethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 123547540
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 136576392
1-butan-2-yl-6-methoxy-2,3-dihydroindole
CID 134369277
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119760433

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole (CID 167253761) is 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole is CC(C)N1CCc2cc(OCC(C)(C)N=O)ccc21.
What is the InChIKey of 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole?
The InChIKey is DGVVREDGLYQVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)17-8-7-12-9-13(5-6-14(12)17)19-10-15(3,4)16-18/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole?
5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole has a molecular weight of 262.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 167253761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).