7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane

C10H15N3O2 — CID 130863312

IUPAC7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESc1c[nH]c(CN2CCC3(C2)OCCO3)n1
InChIInChI=1S/C10H15N3O2/c1-4-13(7-9-11-2-3-12-9)8-10(1)14-5-6-15-10/h2-3H,1,4-8H2,(H,11,12)
InChIKeyGJFCEFWTGFGUID-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.36
Rot. Bonds2

About 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane

7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 130863312) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID130863312
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESc1c[nH]c(CN2CCC3(C2)OCCO3)n1
InChIInChI=1S/C10H15N3O2/c1-4-13(7-9-11-2-3-12-9)8-10(1)14-5-6-15-10/h2-3H,1,4-8H2,(H,11,12)
InChIKeyGJFCEFWTGFGUID-UHFFFAOYSA-N
XLogP0.36
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
CID 130679869
7-[(2-chloro-4-pyridinyl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131110971
[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268350
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97134124
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 154766600
[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
CID 130604179
1-(1H-imidazol-2-ylmethyl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid
CID 70717173
N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124991686
2-(3-hydroxypropyl)-9-(1H-imidazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756706

Frequently Asked Questions

What is the IUPAC name of 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane (CID 130863312) is 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane is c1c[nH]c(CN2CCC3(C2)OCCO3)n1.
What is the InChIKey of 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is GJFCEFWTGFGUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-13(7-9-11-2-3-12-9)8-10(1)14-5-6-15-10/h2-3H,1,4-8H2,(H,11,12).
What are the key properties of 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane?
7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 209.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 130863312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).