7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane

C12H19N3O — CID 97399390

IUPAC7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCn1ccnc1CN1CCC2(CC1)COC2
InChIInChI=1S/C12H19N3O/c1-14-7-4-13-11(14)8-15-5-2-12(3-6-15)9-16-10-12/h4,7H,2-3,5-6,8-10H2,1H3
InChIKeyUYPBKJSGGWFMIO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.03
Rot. Bonds2

About 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane

7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 97399390) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane
PubChem CID97399390
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCn1ccnc1CN1CCC2(CC1)COC2
InChIInChI=1S/C12H19N3O/c1-14-7-4-13-11(14)8-15-5-2-12(3-6-15)9-16-10-12/h4,7H,2-3,5-6,8-10H2,1H3
InChIKeyUYPBKJSGGWFMIO-UHFFFAOYSA-N
XLogP1.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane (CID 97399390) is 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane is Cn1ccnc1CN1CCC2(CC1)COC2.
What is the InChIKey of 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is UYPBKJSGGWFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-7-4-13-11(14)8-15-5-2-12(3-6-15)9-16-10-12/h4,7H,2-3,5-6,8-10H2,1H3.
What are the key properties of 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane?
7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 221.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylimidazol-2-yl)methyl]-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97399390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).