3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione

C16H18ClNO3 — CID 22327495

IUPAC3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C16H18ClNO3/c1-21-10-5-6-11(12(17)9-10)13-14(19)16(18-15(13)20)7-3-2-4-8-16/h5-6,9,13H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyCRLGUQOZNDLAHW-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.83
Rot. Bonds2

About 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione

3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 22327495) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione
PubChem CID22327495
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C16H18ClNO3/c1-21-10-5-6-11(12(17)9-10)13-14(19)16(18-15(13)20)7-3-2-4-8-16/h5-6,9,13H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyCRLGUQOZNDLAHW-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-(2-chloro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 155904610
(2S)-2-(2-chloro-4-methoxyphenyl)oxirane
CID 95436380
3-[2-(1-bromopropyl)phenyl]-1-azaspiro[4.5]decane-2,4-dione
CID 140503058
3-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-1-azaspiro[4.4]nonane-2,4-dione
CID 66660197
2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one
CID 166124236
2-(2-chloro-4-methoxyphenyl)-3-methylazetidine
CID 116822166
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9285506
(8S)-8-[(4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 131931832
3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 123284062
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
CID 65018637
3-(2,4-dichloro-6-methylphenyl)-8-methoxy-1-azaspiro[4.4]nonane-2,4-dione
CID 67439161

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione (CID 22327495) is 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione is COc1ccc(C2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is CRLGUQOZNDLAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-21-10-5-6-11(12(17)9-10)13-14(19)16(18-15(13)20)7-3-2-4-8-16/h5-6,9,13H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione?
3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 307.78 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 22327495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).