(5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C15H23N3O2 — CID 95723902

IUPAC(5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCCn1ccnc1CN1CC[C@@]2(CCCO2)CCC1=O
InChIInChI=1S/C15H23N3O2/c1-2-17-10-8-16-13(17)12-18-9-7-15(5-3-11-20-15)6-4-14(18)19/h8,10H,2-7,9,11-12H2,1H3/t15-/m1/s1
InChIKeyWGNBWIPRYQDVPA-OAHLLOKOSA-N
MW277.37 g/mol
LogP1.96
Rot. Bonds3

About (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

(5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 95723902) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name(5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID95723902
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCCn1ccnc1CN1CC[C@@]2(CCCO2)CCC1=O
InChIInChI=1S/C15H23N3O2/c1-2-17-10-8-16-13(17)12-18-9-7-15(5-3-11-20-15)6-4-14(18)19/h8,10H,2-7,9,11-12H2,1H3/t15-/m1/s1
InChIKeyWGNBWIPRYQDVPA-OAHLLOKOSA-N
XLogP1.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56870328
(5S)-9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95711137
(5R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95724662
9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56863029
(5R)-9-[(4-tert-butylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95524921
9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56872805
9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56880432
(5S)-9-(3-pyrrol-1-ylpropyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95720611
(5S)-9-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95713030
(5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95710061
9-[(4-methylnaphthalen-1-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56873072
9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56868532

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 95723902) is (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is CCn1ccnc1CN1CC[C@@]2(CCCO2)CCC1=O.
What is the InChIKey of (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is WGNBWIPRYQDVPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-17-10-8-16-13(17)12-18-9-7-15(5-3-11-20-15)6-4-14(18)19/h8,10H,2-7,9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
(5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 277.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 95723902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).