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

C7H12N2O — CID 70138595

IUPAC1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
SMILESCCC(=O)C1CN=C(N)C1
InChIInChI=1S/C7H12N2O/c1-2-6(10)5-3-7(8)9-4-5/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyDENTUZCJQRODOI-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.34
Rot. Bonds2

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

1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one (PubChem CID 70138595) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
PubChem CID70138595
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
SMILESCCC(=O)C1CN=C(N)C1
InChIInChI=1S/C7H12N2O/c1-2-6(10)5-3-7(8)9-4-5/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyDENTUZCJQRODOI-UHFFFAOYSA-N
XLogP0.34
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one?
The IUPAC name of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one (CID 70138595) is 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one is CCC(=O)C1CN=C(N)C1.
What is the InChIKey of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one?
The InChIKey is DENTUZCJQRODOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-6(10)5-3-7(8)9-4-5/h5H,2-4H2,1H3,(H2,8,9).
What are the key properties of 1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one?
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one has a molecular weight of 140.19 g/mol, XLogP of 0.34, 2 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)propan-1-one is sourced from PubChem (CID 70138595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).