9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C16H25N3O2 — CID 56870328

IUPAC9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCC(C)n1ccnc1CN1CCC2(CCCO2)CCC1=O
InChIInChI=1S/C16H25N3O2/c1-13(2)19-10-8-17-14(19)12-18-9-7-16(5-3-11-21-16)6-4-15(18)20/h8,10,13H,3-7,9,11-12H2,1-2H3
InChIKeyQYAMJXVWUXMIQW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.53
Rot. Bonds3

About 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56870328) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56870328
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCC(C)n1ccnc1CN1CCC2(CCCO2)CCC1=O
InChIInChI=1S/C16H25N3O2/c1-13(2)19-10-8-17-14(19)12-18-9-7-16(5-3-11-21-16)6-4-15(18)20/h8,10,13H,3-7,9,11-12H2,1-2H3
InChIKeyQYAMJXVWUXMIQW-UHFFFAOYSA-N
XLogP2.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56870328) is 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is CC(C)n1ccnc1CN1CCC2(CCCO2)CCC1=O.
What is the InChIKey of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is QYAMJXVWUXMIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(2)19-10-8-17-14(19)12-18-9-7-16(5-3-11-21-16)6-4-15(18)20/h8,10,13H,3-7,9,11-12H2,1-2H3.
What are the key properties of 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 291.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56870328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).