2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione

C16H18ClNO3 — CID 94385512

IUPAC2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1C[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO3/c17-12-6-2-1-5-11(12)13(19)10-18-14(20)9-16(15(18)21)7-3-4-8-16/h1-2,5-6,13,19H,3-4,7-10H2/t13-/m0/s1
InChIKeyYMHQGTMORWSWSY-ZDUSSCGKSA-N
MW307.78 g/mol
LogP2.69
Rot. Bonds3

About 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 94385512) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID94385512
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1C[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO3/c17-12-6-2-1-5-11(12)13(19)10-18-14(20)9-16(15(18)21)7-3-4-8-16/h1-2,5-6,13,19H,3-4,7-10H2/t13-/m0/s1
InChIKeyYMHQGTMORWSWSY-ZDUSSCGKSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 31579870
2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 75858651
2-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 26009717
2-(3-carbazol-9-yl-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 42944282
3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 95156461
(3aR,7aS)-2-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 94385491
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
2-[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 46613471
2-[(2R)-2-hydroxy-3-[(R)-(2-methylphenyl)-phenylmethoxy]propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 31579899
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17406638
3-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 47053145
2-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18087078

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 94385512) is 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1C[C@H](O)c1ccccc1Cl.
What is the InChIKey of 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is YMHQGTMORWSWSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18ClNO3/c17-12-6-2-1-5-11(12)13(19)10-18-14(20)9-16(15(18)21)7-3-4-8-16/h1-2,5-6,13,19H,3-4,7-10H2/t13-/m0/s1.
What are the key properties of 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 307.78 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 94385512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).