7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane

C9H13NO — CID 156639029

IUPAC7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane
SMILESO=NCCC1C2(CC2)C12CC2
InChIInChI=1S/C9H13NO/c11-10-6-1-7-8(2-3-8)9(7)4-5-9/h7H,1-6H2
InChIKeyUWZPEASBLIKILM-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.33
Rot. Bonds3

About 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane

7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane (PubChem CID 156639029) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane.

Molecular Properties

Compound Name7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane
PubChem CID156639029
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane
SMILESO=NCCC1C2(CC2)C12CC2
InChIInChI=1S/C9H13NO/c11-10-6-1-7-8(2-3-8)9(7)4-5-9/h7H,1-6H2
InChIKeyUWZPEASBLIKILM-UHFFFAOYSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol
CID 171473077
2-dispiro[2.0.24.13]heptan-7-ylethanol;2-dispiro[2.0.24.13]heptan-7-ylethyl methanesulfonate
CID 159833848
1-ethyl-3-(4-nitrosobutyl)cyclobutane
CID 155446130
4-(6-nitrosohexyl)cyclohexan-1-ol
CID 89212153
2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid
CID 142143669
2-(nitrosomethyl)-2,3-dihydro-1H-indene
CID 142221573
3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole
CID 167107188
1-methyl-1-(nitrosomethyl)cyclopentane
CID 88905050
N-methyl-7-nitrosoheptan-1-amine
CID 143959135
3,3-dimethyl-1-nitrosobutane
CID 57089696
2-(4-methyl-1-nitrosocyclohexyl)acetonitrile
CID 167113933
3-tert-butyl-4-(2-nitrosoethylamino)cyclobut-3-ene-1,2-dione
CID 155599652

Frequently Asked Questions

What is the IUPAC name of 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane?
The IUPAC name of 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane (CID 156639029) is 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane.
What is the SMILES notation for 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane?
The canonical SMILES for 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane is O=NCCC1C2(CC2)C12CC2.
What is the InChIKey of 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane?
The InChIKey is UWZPEASBLIKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-10-6-1-7-8(2-3-8)9(7)4-5-9/h7H,1-6H2.
What are the key properties of 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane?
7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane has a molecular weight of 151.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane is sourced from PubChem (CID 156639029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).