5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one

C7H12N2O — CID 163802594

IUPAC5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one
SMILESCC(C)C1N=C(N)CC1=O
InChIInChI=1S/C7H12N2O/c1-4(2)7-5(10)3-6(8)9-7/h4,7H,3H2,1-2H3,(H2,8,9)
InChIKeyNGHCQLZPPWFVSX-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.34
Rot. Bonds1

About 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one

5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one (PubChem CID 163802594) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one
PubChem CID163802594
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one
SMILESCC(C)C1N=C(N)CC1=O
InChIInChI=1S/C7H12N2O/c1-4(2)7-5(10)3-6(8)9-7/h4,7H,3H2,1-2H3,(H2,8,9)
InChIKeyNGHCQLZPPWFVSX-UHFFFAOYSA-N
XLogP0.34
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one
CID 70138590
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
CID 70138595
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone
CID 70140805
N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
CID 90867301
N'-(3-amino-3-methyl-4-oxohexan-2-yl)ethanimidamide
CID 91527527
N'-(4-amino-5-oxohexyl)-2-methylbutanimidamide
CID 123946366
N'-[(2S)-2-amino-4-methyl-3-oxopentyl]ethanimidamide
CID 148090153
N'-(3-amino-5-methyl-4-oxohexyl)ethanimidamide
CID 170023926
2-methyl-N'-(4-methyl-2,3-dioxopentyl)propanimidamide
CID 174343074
(3S)-3-amino-4-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-2-one
CID 157956868
1-(2-amino-4H-imidazol-5-yl)-2-methylpropan-1-one
CID 159039087
N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide
CID 159276876

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one?
The IUPAC name of 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one (CID 163802594) is 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one.
What is the SMILES notation for 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one?
The canonical SMILES for 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one is CC(C)C1N=C(N)CC1=O.
What is the InChIKey of 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one?
The InChIKey is NGHCQLZPPWFVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4(2)7-5(10)3-6(8)9-7/h4,7H,3H2,1-2H3,(H2,8,9).
What are the key properties of 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one?
5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one has a molecular weight of 140.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one is sourced from PubChem (CID 163802594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).