2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone

C15H25N3O — CID 79099256

IUPAC2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCCNC(C)c1ccn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C15H25N3O/c1-3-7-16-13(2)14-6-10-17(11-14)12-15(19)18-8-4-5-9-18/h6,10-11,13,16H,3-5,7-9,12H2,1-2H3
InChIKeyPFJIXPKOOOMSEY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.17
Rot. Bonds6

About 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 79099256) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID79099256
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCCNC(C)c1ccn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C15H25N3O/c1-3-7-16-13(2)14-6-10-17(11-14)12-15(19)18-8-4-5-9-18/h6,10-11,13,16H,3-5,7-9,12H2,1-2H3
InChIKeyPFJIXPKOOOMSEY-UHFFFAOYSA-N
XLogP2.17
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone (CID 79099256) is 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone is CCCNC(C)c1ccn(CC(=O)N2CCCC2)c1.
What is the InChIKey of 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is PFJIXPKOOOMSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-7-16-13(2)14-6-10-17(11-14)12-15(19)18-8-4-5-9-18/h6,10-11,13,16H,3-5,7-9,12H2,1-2H3.
What are the key properties of 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 263.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 79099256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).