1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one

C10H17NO — CID 158180066

IUPAC1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one
SMILESCCN1CC=C(C(=O)C(C)C)C1
InChIInChI=1S/C10H17NO/c1-4-11-6-5-9(7-11)10(12)8(2)3/h5,8H,4,6-7H2,1-3H3
InChIKeyJLZOYFMMRPLKKA-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds3

About 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one

1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one (PubChem CID 158180066) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one
PubChem CID158180066
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one
SMILESCCN1CC=C(C(=O)C(C)C)C1
InChIInChI=1S/C10H17NO/c1-4-11-6-5-9(7-11)10(12)8(2)3/h5,8H,4,6-7H2,1-3H3
InChIKeyJLZOYFMMRPLKKA-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one (CID 158180066) is 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one is CCN1CC=C(C(=O)C(C)C)C1.
What is the InChIKey of 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one?
The InChIKey is JLZOYFMMRPLKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-11-6-5-9(7-11)10(12)8(2)3/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one?
1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dihydropyrrol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 158180066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).