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

C6H10N2O — CID 70140805

IUPAC1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone
SMILESCC(=O)C1CN=C(N)C1
InChIInChI=1S/C6H10N2O/c1-4(9)5-2-6(7)8-3-5/h5H,2-3H2,1H3,(H2,7,8)
InChIKeyPPSDYWBBWYQBBV-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.05
Rot. Bonds1

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

1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone (PubChem CID 70140805) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone
PubChem CID70140805
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone
SMILESCC(=O)C1CN=C(N)C1
InChIInChI=1S/C6H10N2O/c1-4(9)5-2-6(7)8-3-5/h5H,2-3H2,1H3,(H2,7,8)
InChIKeyPPSDYWBBWYQBBV-UHFFFAOYSA-N
XLogP-0.05
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone (CID 70140805) is 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone is CC(=O)C1CN=C(N)C1.
What is the InChIKey of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone?
The InChIKey is PPSDYWBBWYQBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4(9)5-2-6(7)8-3-5/h5H,2-3H2,1H3,(H2,7,8).
What are the key properties of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone?
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone has a molecular weight of 126.16 g/mol, XLogP of -0.05, 1 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)ethanone is sourced from PubChem (CID 70140805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).