2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one

C7H12N2O — CID 126595843

IUPAC2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one
SMILESCC(N)C(=O)N1C=CCC1
InChIInChI=1S/C7H12N2O/c1-6(8)7(10)9-4-2-3-5-9/h2,4,6H,3,5,8H2,1H3
InChIKeyUHJJTSGQMBGNCI-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.08
Rot. Bonds1

About 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one

2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one (PubChem CID 126595843) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one
PubChem CID126595843
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one
SMILESCC(N)C(=O)N1C=CCC1
InChIInChI=1S/C7H12N2O/c1-6(8)7(10)9-4-2-3-5-9/h2,4,6H,3,5,8H2,1H3
InChIKeyUHJJTSGQMBGNCI-UHFFFAOYSA-N
XLogP0.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one (CID 126595843) is 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one is CC(N)C(=O)N1C=CCC1.
What is the InChIKey of 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one?
The InChIKey is UHJJTSGQMBGNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(8)7(10)9-4-2-3-5-9/h2,4,6H,3,5,8H2,1H3.
What are the key properties of 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one?
2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one has a molecular weight of 140.19 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydropyrrol-1-yl)propan-1-one is sourced from PubChem (CID 126595843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).