2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol

C11H17NO — CID 167037852

IUPAC2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol
SMILESCCC1=C(C2=CCCC2O)NCC1
InChIInChI=1S/C11H17NO/c1-2-8-6-7-12-11(8)9-4-3-5-10(9)13/h4,10,12-13H,2-3,5-7H2,1H3
InChIKeyDQKLVFLFJXXYOW-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.72
Rot. Bonds2

About 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol

2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol (PubChem CID 167037852) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol
PubChem CID167037852
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol
SMILESCCC1=C(C2=CCCC2O)NCC1
InChIInChI=1S/C11H17NO/c1-2-8-6-7-12-11(8)9-4-3-5-10(9)13/h4,10,12-13H,2-3,5-7H2,1H3
InChIKeyDQKLVFLFJXXYOW-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol?
The IUPAC name of 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol (CID 167037852) is 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol.
What is the SMILES notation for 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol?
The canonical SMILES for 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol is CCC1=C(C2=CCCC2O)NCC1.
What is the InChIKey of 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol?
The InChIKey is DQKLVFLFJXXYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-8-6-7-12-11(8)9-4-3-5-10(9)13/h4,10,12-13H,2-3,5-7H2,1H3.
What are the key properties of 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol?
2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dihydro-1H-pyrrol-5-yl)cyclopent-2-en-1-ol is sourced from PubChem (CID 167037852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).