7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene

C10H13NO2 — CID 163956684

IUPAC7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene
SMILESCOC1(C)C=CC=C(CN=O)C=C1
InChIInChI=1S/C10H13NO2/c1-10(13-2)6-3-4-9(5-7-10)8-11-12/h3-7H,8H2,1-2H3
InChIKeySDYYBUCXSFZQFY-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.21
Rot. Bonds3

About 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene

7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene (PubChem CID 163956684) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene
PubChem CID163956684
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene
SMILESCOC1(C)C=CC=C(CN=O)C=C1
InChIInChI=1S/C10H13NO2/c1-10(13-2)6-3-4-9(5-7-10)8-11-12/h3-7H,8H2,1-2H3
InChIKeySDYYBUCXSFZQFY-UHFFFAOYSA-N
XLogP2.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene (CID 163956684) is 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene is COC1(C)C=CC=C(CN=O)C=C1.
What is the InChIKey of 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene?
The InChIKey is SDYYBUCXSFZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(13-2)6-3-4-9(5-7-10)8-11-12/h3-7H,8H2,1-2H3.
What are the key properties of 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene?
7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene has a molecular weight of 179.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-methyl-3-(nitrosomethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 163956684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).