6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione

C15H17NO2 — CID 10681694

IUPAC6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
SMILESC[C@H](c1ccccc1)N1CC(=O)C2(CCC2)C1=O
InChIInChI=1S/C15H17NO2/c1-11(12-6-3-2-4-7-12)16-10-13(17)15(14(16)18)8-5-9-15/h2-4,6-7,11H,5,8-10H2,1H3/t11-/m1/s1
InChIKeyMPYMXCLSZPBZKU-LLVKDONJSA-N
MW243.31 g/mol
LogP2.33
Rot. Bonds2

About 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione

6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione (PubChem CID 10681694) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione.

Molecular Properties

Compound Name6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
PubChem CID10681694
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
SMILESC[C@H](c1ccccc1)N1CC(=O)C2(CCC2)C1=O
InChIInChI=1S/C15H17NO2/c1-11(12-6-3-2-4-7-12)16-10-13(17)15(14(16)18)8-5-9-15/h2-4,6-7,11H,5,8-10H2,1H3/t11-/m1/s1
InChIKeyMPYMXCLSZPBZKU-LLVKDONJSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxyimino-5-[(1S)-1-phenylethyl]-5-azaspiro[2.4]heptan-4-one
CID 160687276
9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957690
(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one
CID 19354256
2,2-dimethyl-4-[(1S)-1-phenylethyl]-1,4-diazaspiro[5.5]undecan-5-one
CID 15350128
(3R,4S)-3-fluoro-4-(1-methylcyclobutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 159987435
CID 10495563
CID 10495563
3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 20820546
2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid
CID 143324738
(3aS,6aS)-3-oxo-2-[(1R)-1-phenylethyl]-3a,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-6a-carbaldehyde
CID 87729537
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573
(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 99770501
(3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 121410440

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione?
The IUPAC name of 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione (CID 10681694) is 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione.
What is the SMILES notation for 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione?
The canonical SMILES for 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione is C[C@H](c1ccccc1)N1CC(=O)C2(CCC2)C1=O.
What is the InChIKey of 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione?
The InChIKey is MPYMXCLSZPBZKU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(12-6-3-2-4-7-12)16-10-13(17)15(14(16)18)8-5-9-15/h2-4,6-7,11H,5,8-10H2,1H3/t11-/m1/s1.
What are the key properties of 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione?
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione has a molecular weight of 243.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione is sourced from PubChem (CID 10681694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).