9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H26ClN3O3 — CID 72877994

IUPAC9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1cc(Cl)cn1C)CC2
InChIInChI=1S/C18H26ClN3O3/c1-20-12-14(19)11-15(20)17(24)21-7-5-18(6-8-21)4-3-16(23)22(13-18)9-10-25-2/h11-12H,3-10,13H2,1-2H3
InChIKeyKWTDLJVQHAGQLV-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.17
Rot. Bonds4

About 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72877994) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72877994
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1cc(Cl)cn1C)CC2
InChIInChI=1S/C18H26ClN3O3/c1-20-12-14(19)11-15(20)17(24)21-7-5-18(6-8-21)4-3-16(23)22(13-18)9-10-25-2/h11-12H,3-10,13H2,1-2H3
InChIKeyKWTDLJVQHAGQLV-UHFFFAOYSA-N
XLogP2.17
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97156420
9-(2,5-dimethylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72858674
(5R)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127055
2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124814570
9-(3-fluoro-4-methylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72906926
8-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72913831
(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113251
(6S)-8-(5-chloro-2-methylbenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124569
9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897253
2-(2-methoxyethyl)-9-[3-(4-methylpyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72905510
2-(2-methoxyethyl)-9-(1-phenylcyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72889857

Frequently Asked Questions

What is the IUPAC name of 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72877994) is 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)c1cc(Cl)cn1C)CC2.
What is the InChIKey of 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KWTDLJVQHAGQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-20-12-14(19)11-15(20)17(24)21-7-5-18(6-8-21)4-3-16(23)22(13-18)9-10-25-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 367.88 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72877994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).