2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one

C13H20N2O — CID 174671207

IUPAC2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one
SMILESCC(C(=O)C(C)C1=NCCC1)C1=NCCC1
InChIInChI=1S/C13H20N2O/c1-9(11-5-3-7-14-11)13(16)10(2)12-6-4-8-15-12/h9-10H,3-8H2,1-2H3
InChIKeyMETXGTQCLWRDNM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.30
Rot. Bonds4

About 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one

2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one (PubChem CID 174671207) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one
PubChem CID174671207
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one
SMILESCC(C(=O)C(C)C1=NCCC1)C1=NCCC1
InChIInChI=1S/C13H20N2O/c1-9(11-5-3-7-14-11)13(16)10(2)12-6-4-8-15-12/h9-10H,3-8H2,1-2H3
InChIKeyMETXGTQCLWRDNM-UHFFFAOYSA-N
XLogP2.30
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one?
The IUPAC name of 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one (CID 174671207) is 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one is CC(C(=O)C(C)C1=NCCC1)C1=NCCC1.
What is the InChIKey of 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one?
The InChIKey is METXGTQCLWRDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(11-5-3-7-14-11)13(16)10(2)12-6-4-8-15-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one?
2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one has a molecular weight of 220.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,4-dihydro-2H-pyrrol-5-yl)pentan-3-one is sourced from PubChem (CID 174671207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).