2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one

C15H27NO — CID 59067701

IUPAC2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one
SMILESCCCC1=NC(C(C)(C)C)C(C(C)(C)C)C1=O
InChIInChI=1S/C15H27NO/c1-8-9-10-12(17)11(14(2,3)4)13(16-10)15(5,6)7/h11,13H,8-9H2,1-7H3
InChIKeyQCFSPMMTHYZDRS-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.89
Rot. Bonds2

About 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one

2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one (PubChem CID 59067701) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one.

Molecular Properties

Compound Name2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one
PubChem CID59067701
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one
SMILESCCCC1=NC(C(C)(C)C)C(C(C)(C)C)C1=O
InChIInChI=1S/C15H27NO/c1-8-9-10-12(17)11(14(2,3)4)13(16-10)15(5,6)7/h11,13H,8-9H2,1-7H3
InChIKeyQCFSPMMTHYZDRS-UHFFFAOYSA-N
XLogP3.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone
CID 54291385
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CID 54399934
2-Tert-butyl-3-propan-2-yl-5-propyl-2,3-dihydropyrrol-4-one
CID 59067739
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615837
(4S)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,5-dimethylhexan-3-one
CID 59615868
7-tert-butyl-1-(3,4-dihydro-2H-pyrrol-5-yl)-2-methyldecane-1,8-dione
CID 90825335
5-(2,2-dimethylpropanoyl)-2,3,3-trimethyl-2H-pyrrol-4-one
CID 91159834
5-Cyclopentylimino-3,3-dimethylcyclohexan-1-one
CID 91161890
(3S,4S)-4-(butan-2-ylideneamino)-3-propylheptan-2-one
CID 118508526
2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone
CID 123508346
1-(4,5-Dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
CID 123562706
1-(4,5-Dimethyl-2,3,4,5,6,7,8,9-octahydroazecin-10-yl)propan-2-one
CID 123726120

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one?
The IUPAC name of 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one (CID 59067701) is 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one.
What is the SMILES notation for 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one?
The canonical SMILES for 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one is CCCC1=NC(C(C)(C)C)C(C(C)(C)C)C1=O.
What is the InChIKey of 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one?
The InChIKey is QCFSPMMTHYZDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-8-9-10-12(17)11(14(2,3)4)13(16-10)15(5,6)7/h11,13H,8-9H2,1-7H3.
What are the key properties of 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one?
2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one has a molecular weight of 237.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one is sourced from PubChem (CID 59067701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).