(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one

C16H17NO2 — CID 11594055

IUPAC(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one
SMILESCC(C)C1=CCC[C@]12N=C(c1ccccc1)OC2=O
InChIInChI=1S/C16H17NO2/c1-11(2)13-9-6-10-16(13)15(18)19-14(17-16)12-7-4-3-5-8-12/h3-5,7-9,11H,6,10H2,1-2H3/t16-/m0/s1
InChIKeyRCOQPJOYIKDRIT-INIZCTEOSA-N
MW255.32 g/mol
LogP3.11
Rot. Bonds2

About (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one

(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one (PubChem CID 11594055) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one.

Molecular Properties

Compound Name(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one
PubChem CID11594055
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one
SMILESCC(C)C1=CCC[C@]12N=C(c1ccccc1)OC2=O
InChIInChI=1S/C16H17NO2/c1-11(2)13-9-6-10-16(13)15(18)19-14(17-16)12-7-4-3-5-8-12/h3-5,7-9,11H,6,10H2,1-2H3/t16-/m0/s1
InChIKeyRCOQPJOYIKDRIT-INIZCTEOSA-N
XLogP3.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one 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

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
6-Phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one
CID 504604
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6992728
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
4-Benzyl 2-ethyl 3-ethyl-2-methyl-2,4-pyrroledicarboxylate
CID 118810281
Methyl 4-methyl-2-[[2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazol-5-ylidene]amino]-2-(trifluoromethyl)pentanoate
CID 11225628
2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
CID 46844549
2-(2,4-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 46919167

Frequently Asked Questions

What is the IUPAC name of (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one?
The IUPAC name of (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one (CID 11594055) is (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one.
What is the SMILES notation for (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one?
The canonical SMILES for (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one is CC(C)C1=CCC[C@]12N=C(c1ccccc1)OC2=O.
What is the InChIKey of (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one?
The InChIKey is RCOQPJOYIKDRIT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11(2)13-9-6-10-16(13)15(18)19-14(17-16)12-7-4-3-5-8-12/h3-5,7-9,11H,6,10H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one?
(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one has a molecular weight of 255.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one is sourced from PubChem (CID 11594055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).