2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C18H22N2O2 — CID 45205610

IUPAC2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=Cc1ccc(C(=O)N2CCC3(CCCN(C)C3=O)C2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-14-5-7-15(8-6-14)16(21)20-12-10-18(13-20)9-4-11-19(2)17(18)22/h3,5-8H,1,4,9-13H2,2H3
InChIKeySWHDNTDBDHRKJS-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45205610) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45205610
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=Cc1ccc(C(=O)N2CCC3(CCCN(C)C3=O)C2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-14-5-7-15(8-6-14)16(21)20-12-10-18(13-20)9-4-11-19(2)17(18)22/h3,5-8H,1,4,9-13H2,2H3
InChIKeySWHDNTDBDHRKJS-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
N-[4-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]phenyl]ethanesulfonamide
CID 97124077
(5R)-2-(1,3-benzodioxole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 25385054
7-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 97132204
7-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 72923527
(5R)-7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115574
7-methyl-2-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56741799
7-methyl-2-(2-morpholin-4-ylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922576
2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
CID 95200256
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 95189352
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 45205610) is 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is C=Cc1ccc(C(=O)N2CCC3(CCCN(C)C3=O)C2)cc1.
What is the InChIKey of 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SWHDNTDBDHRKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-14-5-7-15(8-6-14)16(21)20-12-10-18(13-20)9-4-11-19(2)17(18)22/h3,5-8H,1,4,9-13H2,2H3.
What are the key properties of 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 298.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45205610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).