1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one

C18H27N3O2 — CID 163309328

IUPAC1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)c2ccn(C(C)(C)C)c2)C1=O
InChIInChI=1S/C18H27N3O2/c1-17(2,3)20-12-7-14(13-20)15(22)21-11-6-9-18(21)8-5-10-19(4)16(18)23/h7,12-13H,5-6,8-11H2,1-4H3
InChIKeyWUYGBLCKVRVDGJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.47
Rot. Bonds1

About 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one

1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163309328) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163309328
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)c2ccn(C(C)(C)C)c2)C1=O
InChIInChI=1S/C18H27N3O2/c1-17(2,3)20-12-7-14(13-20)15(22)21-11-6-9-18(21)8-5-10-19(4)16(18)23/h7,12-13H,5-6,8-11H2,1-4H3
InChIKeyWUYGBLCKVRVDGJ-UHFFFAOYSA-N
XLogP2.47
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635147
1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629447
9-methyl-1-(5-methylpyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316091
9-methyl-1-(quinoline-6-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633720
9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631432
1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628244
9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162629499
1-(3,3-diphenylpropanoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162636157
9-methyl-1-(2-phenoxyacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164698220
(6R)-8-(1-tert-butylpyrrole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124195
(3R)-1-(1-tert-butylpyrrole-3-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97137291
(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 131679227

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one (CID 163309328) is 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2C(=O)c2ccn(C(C)(C)C)c2)C1=O.
What is the InChIKey of 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is WUYGBLCKVRVDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-17(2,3)20-12-7-14(13-20)15(22)21-11-6-9-18(21)8-5-10-19(4)16(18)23/h7,12-13H,5-6,8-11H2,1-4H3.
What are the key properties of 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 317.43 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163309328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).