3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one

C10H16N2O — CID 176777495

IUPAC3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one
SMILESCC(C)NCCC(=O)n1cccc1
InChIInChI=1S/C10H16N2O/c1-9(2)11-6-5-10(13)12-7-3-4-8-12/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyRKDULLMGEDNMIR-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds4

About 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one

3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one (PubChem CID 176777495) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one
PubChem CID176777495
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one
SMILESCC(C)NCCC(=O)n1cccc1
InChIInChI=1S/C10H16N2O/c1-9(2)11-6-5-10(13)12-7-3-4-8-12/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyRKDULLMGEDNMIR-UHFFFAOYSA-N
XLogP1.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one?
The IUPAC name of 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one (CID 176777495) is 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one is CC(C)NCCC(=O)n1cccc1.
What is the InChIKey of 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one?
The InChIKey is RKDULLMGEDNMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(2)11-6-5-10(13)12-7-3-4-8-12/h3-4,7-9,11H,5-6H2,1-2H3.
What are the key properties of 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one?
3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-1-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 176777495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).