2'-methylspiro[adamantane-2,3'-oxaziridine]

C11H17NO — CID 12693707

IUPAC2'-methylspiro[adamantane-2,3'-oxaziridine]
SMILESCN1OC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C11H17NO/c1-12-11(13-12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10H,2-6H2,1H3
InChIKeyMZCYNUWMBYPIMX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.02
Rot. Bonds

About 2'-methylspiro[adamantane-2,3'-oxaziridine]

2'-methylspiro[adamantane-2,3'-oxaziridine] (PubChem CID 12693707) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2'-methylspiro[adamantane-2,3'-oxaziridine].

Molecular Properties

Compound Name2'-methylspiro[adamantane-2,3'-oxaziridine]
PubChem CID12693707
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2'-methylspiro[adamantane-2,3'-oxaziridine]
SMILESCN1OC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C11H17NO/c1-12-11(13-12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10H,2-6H2,1H3
InChIKeyMZCYNUWMBYPIMX-UHFFFAOYSA-N
XLogP2.02
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyladamantane;ethane
CID 91483373
1',2',2'-trimethylspiro[adamantane-2,4'-pyrrolidine]
CID 163519695
adamantane;N-methylmethanamine
CID 20975909
5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]
CID 101286008
bis(2-methyl-2-adamantyl)diazene
CID 134985564
adamantane;ethane
CID 90892828
CID 101100305
CID 101100305
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
spiro[adamantane-2,3'-oxetane]
CID 22677097
2'-methylspiro[adamantane-2,1'-cyclopropane]
CID 91748046
spiro[adamantane-2,4'-oxane]
CID 10512483
2-ethyl-2-methyladamantane
CID 21349236

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[adamantane-2,3'-oxaziridine]?
The IUPAC name of 2'-methylspiro[adamantane-2,3'-oxaziridine] (CID 12693707) is 2'-methylspiro[adamantane-2,3'-oxaziridine].
What is the SMILES notation for 2'-methylspiro[adamantane-2,3'-oxaziridine]?
The canonical SMILES for 2'-methylspiro[adamantane-2,3'-oxaziridine] is CN1OC12C1CC3CC(C1)CC2C3.
What is the InChIKey of 2'-methylspiro[adamantane-2,3'-oxaziridine]?
The InChIKey is MZCYNUWMBYPIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-11(13-12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10H,2-6H2,1H3.
What are the key properties of 2'-methylspiro[adamantane-2,3'-oxaziridine]?
2'-methylspiro[adamantane-2,3'-oxaziridine] has a molecular weight of 179.26 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[adamantane-2,3'-oxaziridine] is sourced from PubChem (CID 12693707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).