(5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one

C15H17NO — CID 135010487

IUPAC(5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one
SMILESCN1CC[C@@]2(C=C[C@@H](c3ccccc3)C2)C1=O
InChIInChI=1S/C15H17NO/c1-16-10-9-15(14(16)17)8-7-13(11-15)12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3/t13-,15-/m1/s1
InChIKeyUEMUBCZKZLYBMZ-UKRRQHHQSA-N
MW227.31 g/mol
LogP2.58
Rot. Bonds1

About (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one

(5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one (PubChem CID 135010487) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one.

Molecular Properties

Compound Name(5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one
PubChem CID135010487
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one
SMILESCN1CC[C@@]2(C=C[C@@H](c3ccccc3)C2)C1=O
InChIInChI=1S/C15H17NO/c1-16-10-9-15(14(16)17)8-7-13(11-15)12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3/t13-,15-/m1/s1
InChIKeyUEMUBCZKZLYBMZ-UKRRQHHQSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R,9R)-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
CID 155850679
1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one
CID 132521429
1-methyl-5-phenyl-2,3,4,5-tetrahydroazepine
CID 57110420
(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124820093
(3S)-3-(2-bromophenyl)-3-[(3S)-3-(2-bromophenyl)-1-methyl-2-oxopyrrolidin-3-yl]-1-methylpyrrolidin-2-one
CID 162415743
5-methyl-4-phenyl-5-azaspiro[2.5]octan-8-one
CID 11401645
3-amino-1-methyl-3-phenylpiperidin-2-one
CID 45096918
8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
CID 67987626
3-benzyl-3-ethyl-1-methylpiperidin-2-one
CID 23448180
9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635147
6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one
CID 170035629
(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 134690512

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one?
The IUPAC name of (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one (CID 135010487) is (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one.
What is the SMILES notation for (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one?
The canonical SMILES for (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one is CN1CC[C@@]2(C=C[C@@H](c3ccccc3)C2)C1=O.
What is the InChIKey of (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one?
The InChIKey is UEMUBCZKZLYBMZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H17NO/c1-16-10-9-15(14(16)17)8-7-13(11-15)12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3/t13-,15-/m1/s1.
What are the key properties of (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one?
(5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one has a molecular weight of 227.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-2-methyl-7-phenyl-2-azaspiro[4.4]non-8-en-1-one is sourced from PubChem (CID 135010487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).