1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one

C10H16N2O2 — CID 70138694

IUPAC1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one
SMILESCCC(=O)C1(C(=O)CC)CN=C(N)C1
InChIInChI=1S/C10H16N2O2/c1-3-7(13)10(8(14)4-2)5-9(11)12-6-10/h3-6H2,1-2H3,(H2,11,12)
InChIKeyMLALDEVYXVEPIN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.69
Rot. Bonds4

About 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one

1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one (PubChem CID 70138694) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one
PubChem CID70138694
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one
SMILESCCC(=O)C1(C(=O)CC)CN=C(N)C1
InChIInChI=1S/C10H16N2O2/c1-3-7(13)10(8(14)4-2)5-9(11)12-6-10/h3-6H2,1-2H3,(H2,11,12)
InChIKeyMLALDEVYXVEPIN-UHFFFAOYSA-N
XLogP0.69
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one?
The IUPAC name of 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one (CID 70138694) is 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one is CCC(=O)C1(C(=O)CC)CN=C(N)C1.
What is the InChIKey of 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one?
The InChIKey is MLALDEVYXVEPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-7(13)10(8(14)4-2)5-9(11)12-6-10/h3-6H2,1-2H3,(H2,11,12).
What are the key properties of 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one?
1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one has a molecular weight of 196.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-propanoyl-2,4-dihydropyrrol-3-yl)propan-1-one is sourced from PubChem (CID 70138694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).