(2R)-2-propyl-1,2-dihydropyrrol-5-one

C7H11NO — CID 56589945

IUPAC(2R)-2-propyl-1,2-dihydropyrrol-5-one
SMILESCCC[C@@H]1C=CC(=O)N1
InChIInChI=1S/C7H11NO/c1-2-3-6-4-5-7(9)8-6/h4-6H,2-3H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyRLXQZBHUOTWGRB-ZCFIWIBFSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds2

About (2R)-2-propyl-1,2-dihydropyrrol-5-one

(2R)-2-propyl-1,2-dihydropyrrol-5-one (PubChem CID 56589945) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2R)-2-propyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-propyl-1,2-dihydropyrrol-5-one
PubChem CID56589945
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2R)-2-propyl-1,2-dihydropyrrol-5-one
SMILESCCC[C@@H]1C=CC(=O)N1
InChIInChI=1S/C7H11NO/c1-2-3-6-4-5-7(9)8-6/h4-6H,2-3H2,1H3,(H,8,9)/t6-/m1/s1
InChIKeyRLXQZBHUOTWGRB-ZCFIWIBFSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-propyl-3-(trifluoromethyl)-1,6-dihydropyridazine
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1-methyl-2-propyl-2H-pyrrol-5-one
CID 171490709
4,5-dipropylcyclopentane-1,2,3-trione
CID 89372645
2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
CID 13328443
6-propylpiperidine-2,3-dione
CID 153356626
(3R,4S)-3,4-dipropylazetidin-2-one
CID 102456687
6-butyl-3-methyl-6,7-dihydro-[1,2]oxazolo[5,4-b]pyridine
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5-propylimidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-propyl-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-2-propyl-1,2-dihydropyrrol-5-one (CID 56589945) is (2R)-2-propyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-2-propyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-2-propyl-1,2-dihydropyrrol-5-one is CCC[C@@H]1C=CC(=O)N1.
What is the InChIKey of (2R)-2-propyl-1,2-dihydropyrrol-5-one?
The InChIKey is RLXQZBHUOTWGRB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-6-4-5-7(9)8-6/h4-6H,2-3H2,1H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (2R)-2-propyl-1,2-dihydropyrrol-5-one?
(2R)-2-propyl-1,2-dihydropyrrol-5-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 56589945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).