1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one

C8H14N2O — CID 70138590

IUPAC1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one
SMILESCCCC(=O)C1CN=C(N)C1
InChIInChI=1S/C8H14N2O/c1-2-3-7(11)6-4-8(9)10-5-6/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyQBNAWOZNCOAGAR-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.73
Rot. Bonds3

About 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one

1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one (PubChem CID 70138590) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one
PubChem CID70138590
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one
SMILESCCCC(=O)C1CN=C(N)C1
InChIInChI=1S/C8H14N2O/c1-2-3-7(11)6-4-8(9)10-5-6/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyQBNAWOZNCOAGAR-UHFFFAOYSA-N
XLogP0.73
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-methyl-5-oxohexyl)ethanimidamide
CID 58871599
1-(3-Acetyl-5-amino-2,4-dihydropyrrol-3-yl)ethanone
CID 70138292
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
CID 70138595
1-(5-Amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one
CID 70138694
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone
CID 70140805
N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide
CID 118001613
N'-(4-methyl-3-oxohexyl)ethanimidamide
CID 121478455
N'-[(4S)-4-methyl-5-oxohexyl]ethanimidamide
CID 122693351
2-methyl-N'-(4-oxohexyl)propanimidamide
CID 123806153
4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide
CID 140915576
heptane;(1S)-N'-hexyl-3-oxocyclopentane-1-carboximidamide
CID 141865346
5-Amino-2-propan-2-yl-2,4-dihydropyrrol-3-one
CID 163802594

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one?
The IUPAC name of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one (CID 70138590) is 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one.
What is the SMILES notation for 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one?
The canonical SMILES for 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one is CCCC(=O)C1CN=C(N)C1.
What is the InChIKey of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one?
The InChIKey is QBNAWOZNCOAGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-7(11)6-4-8(9)10-5-6/h6H,2-5H2,1H3,(H2,9,10).
What are the key properties of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one?
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one has a molecular weight of 154.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)butan-1-one is sourced from PubChem (CID 70138590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).