(5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione

C25H27NO2 — CID 102043649

IUPAC(5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione
SMILESC[C@@H](c1ccccc1)N1C=C[C@H](c2ccccc2)[C@@]2(CC(C)(C)CC2=O)C1=O
InChIInChI=1S/C25H27NO2/c1-18(19-10-6-4-7-11-19)26-15-14-21(20-12-8-5-9-13-20)25(23(26)28)17-24(2,3)16-22(25)27/h4-15,18,21H,16-17H2,1-3H3/t18-,21+,25+/m0/s1
InChIKeyDRMLNMSEEAKCSB-NXQMDHLFSA-N
MW373.50 g/mol
LogP5.26
Rot. Bonds3

About (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione

(5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione (PubChem CID 102043649) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione.

Molecular Properties

Compound Name(5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione
PubChem CID102043649
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione
SMILESC[C@@H](c1ccccc1)N1C=C[C@H](c2ccccc2)[C@@]2(CC(C)(C)CC2=O)C1=O
InChIInChI=1S/C25H27NO2/c1-18(19-10-6-4-7-11-19)26-15-14-21(20-12-8-5-9-13-20)25(23(26)28)17-24(2,3)16-22(25)27/h4-15,18,21H,16-17H2,1-3H3/t18-,21+,25+/m0/s1
InChIKeyDRMLNMSEEAKCSB-NXQMDHLFSA-N
XLogP5.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1R,5S,7S)-7-phenyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.2.0]heptan-2-one
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CID 99770501
4,4-dimethyl-2-phenylcyclopentan-1-one
CID 11106110
3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 70991873
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753
(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one
CID 19354256
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
CID 10495563
CID 10495563
(1S,4S,7R,9R)-3-[(E)-but-2-enoyl]-1,7,9-trimethyl-5-[(1S)-1-phenylethyl]-3,5-diazatricyclo[5.3.1.04,9]undecane-2,6-dione
CID 15977516
(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 10538773
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134

Frequently Asked Questions

What is the IUPAC name of (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione?
The IUPAC name of (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione (CID 102043649) is (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione.
What is the SMILES notation for (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione?
The canonical SMILES for (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione is C[C@@H](c1ccccc1)N1C=C[C@H](c2ccccc2)[C@@]2(CC(C)(C)CC2=O)C1=O.
What is the InChIKey of (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione?
The InChIKey is DRMLNMSEEAKCSB-NXQMDHLFSA-N. The full InChI is InChI=1S/C25H27NO2/c1-18(19-10-6-4-7-11-19)26-15-14-21(20-12-8-5-9-13-20)25(23(26)28)17-24(2,3)16-22(25)27/h4-15,18,21H,16-17H2,1-3H3/t18-,21+,25+/m0/s1.
What are the key properties of (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione?
(5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione has a molecular weight of 373.50 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-2,2-dimethyl-10-phenyl-7-[(1S)-1-phenylethyl]-7-azaspiro[4.5]dec-8-ene-4,6-dione is sourced from PubChem (CID 102043649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).