6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]

C12H17NO3 — CID 90801410

IUPAC6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]
SMILESO=NC1C2CC3CC1CC(C2)C31OCCO1
InChIInChI=1S/C12H17NO3/c14-13-11-7-3-9-5-8(11)6-10(4-7)12(9)15-1-2-16-12/h7-11H,1-6H2
InChIKeyHGIIEUDRBAHGMO-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.93
Rot. Bonds1

About 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]

6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane] (PubChem CID 90801410) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane].

Molecular Properties

Compound Name6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]
PubChem CID90801410
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]
SMILESO=NC1C2CC3CC1CC(C2)C31OCCO1
InChIInChI=1S/C12H17NO3/c14-13-11-7-3-9-5-8(11)6-10(4-7)12(9)15-1-2-16-12/h7-11H,1-6H2
InChIKeyHGIIEUDRBAHGMO-UHFFFAOYSA-N
XLogP1.93
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-nitrosoadamantane
CID 14225850
CID 10661453
CID 10661453
4,5-dinitrosotricyclo[4.3.1.13,8]undecane
CID 123541321
1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]
CID 91619929
2,2-dicyclohexyl-1,3-dioxolane
CID 102096003
CID 134859791
CID 134859791
CID 98126640
CID 98126640
2',5'-Dibromo-1',2',3',3'a,4',5',6'a-octahydrodispiro[(1,3)-dioxolane-2,3'-pentalene-6',2''-(1,3)-dioxolane]
CID 4074565
CID 102129804
CID 102129804
spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one
CID 90482556
(1'S,3'S,5'S,7'S)-spiro[1,3-dioxolane-2,6'-tricyclo[5.1.0.03,5]octane]-2'-one
CID 98164014
1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]
CID 13075074

Frequently Asked Questions

What is the IUPAC name of 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]?
The IUPAC name of 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane] (CID 90801410) is 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane].
What is the SMILES notation for 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]?
The canonical SMILES for 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane] is O=NC1C2CC3CC1CC(C2)C31OCCO1.
What is the InChIKey of 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]?
The InChIKey is HGIIEUDRBAHGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-13-11-7-3-9-5-8(11)6-10(4-7)12(9)15-1-2-16-12/h7-11H,1-6H2.
What are the key properties of 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]?
6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane] has a molecular weight of 223.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane] is sourced from PubChem (CID 90801410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).