5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene

C11H13NO3 — CID 88911089

IUPAC5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene
SMILESCOCOc1cc2c(cc1N=O)CCC2
InChIInChI=1S/C11H13NO3/c1-14-7-15-11-6-9-4-2-3-8(9)5-10(11)12-13/h5-6H,2-4,7H2,1H3
InChIKeyNSASWAHSFNOVQV-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.56
Rot. Bonds4

About 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene

5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene (PubChem CID 88911089) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene
PubChem CID88911089
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene
SMILESCOCOc1cc2c(cc1N=O)CCC2
InChIInChI=1S/C11H13NO3/c1-14-7-15-11-6-9-4-2-3-8(9)5-10(11)12-13/h5-6H,2-4,7H2,1H3
InChIKeyNSASWAHSFNOVQV-UHFFFAOYSA-N
XLogP2.56
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene?
The IUPAC name of 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene (CID 88911089) is 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene is COCOc1cc2c(cc1N=O)CCC2.
What is the InChIKey of 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene?
The InChIKey is NSASWAHSFNOVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-7-15-11-6-9-4-2-3-8(9)5-10(11)12-13/h5-6H,2-4,7H2,1H3.
What are the key properties of 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene?
5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene has a molecular weight of 207.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene is sourced from PubChem (CID 88911089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).