1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one

C11H19NO — CID 83963283

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)C1=NCCC1
InChIInChI=1S/C11H19NO/c1-3-6-9(4-2)11(13)10-7-5-8-12-10/h9H,3-8H2,1-2H3
InChIKeyQRODYRJOKRGBCW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.62
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one

1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one (PubChem CID 83963283) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one
PubChem CID83963283
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one
SMILESCCCC(CC)C(=O)C1=NCCC1
InChIInChI=1S/C11H19NO/c1-3-6-9(4-2)11(13)10-7-5-8-12-10/h9H,3-8H2,1-2H3
InChIKeyQRODYRJOKRGBCW-UHFFFAOYSA-N
XLogP2.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-Ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one
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2-Tert-butyl-3-propan-2-yl-5-propyl-2,3-dihydropyrrol-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one (CID 83963283) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one is CCCC(CC)C(=O)C1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one?
The InChIKey is QRODYRJOKRGBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-6-9(4-2)11(13)10-7-5-8-12-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one?
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-ethylpentan-1-one is sourced from PubChem (CID 83963283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).