2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C18H25N3O3 — CID 45198082

IUPAC2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CCCN(C)C3=O)C2)c1C
InChIInChI=1S/C18H25N3O3/c1-11-14(12(2)19-15(11)13(3)22)16(23)21-9-7-18(10-21)6-5-8-20(4)17(18)24/h19H,5-10H2,1-4H3
InChIKeyZQMFMSNBIWUEBT-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.92
Rot. Bonds2

About 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45198082) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45198082
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CCCN(C)C3=O)C2)c1C
InChIInChI=1S/C18H25N3O3/c1-11-14(12(2)19-15(11)13(3)22)16(23)21-9-7-18(10-21)6-5-8-20(4)17(18)24/h19H,5-10H2,1-4H3
InChIKeyZQMFMSNBIWUEBT-UHFFFAOYSA-N
XLogP1.92
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
(4aS,8aS)-7-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135095249
7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56751168
1-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-morpholin-4-ylethane-1,2-dione
CID 95221755
2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56740207
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
1-[4-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]ethanone
CID 133109471
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 154865329
7-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 97132204
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 45198082) is 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CCCN(C)C3=O)C2)c1C.
What is the InChIKey of 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZQMFMSNBIWUEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11-14(12(2)19-15(11)13(3)22)16(23)21-9-7-18(10-21)6-5-8-20(4)17(18)24/h19H,5-10H2,1-4H3.
What are the key properties of 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 331.42 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45198082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).