5-methoxy-2,3-dihydro-1H-pyrrole

C5H9NO — CID 12761828

IUPAC5-methoxy-2,3-dihydro-1H-pyrrole
SMILESCOC1=CCCN1
InChIInChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h3,6H,2,4H2,1H3
InChIKeyQLPXKYBQRVRKPC-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.47
Rot. Bonds1

About 5-methoxy-2,3-dihydro-1H-pyrrole

5-methoxy-2,3-dihydro-1H-pyrrole (PubChem CID 12761828) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 5-methoxy-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-methoxy-2,3-dihydro-1H-pyrrole
PubChem CID12761828
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name5-methoxy-2,3-dihydro-1H-pyrrole
SMILESCOC1=CCCN1
InChIInChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h3,6H,2,4H2,1H3
InChIKeyQLPXKYBQRVRKPC-UHFFFAOYSA-N
XLogP0.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-methoxy-2,3-dihydro-1H-pyrrole (CID 12761828) is 5-methoxy-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-methoxy-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-methoxy-2,3-dihydro-1H-pyrrole is COC1=CCCN1.
What is the InChIKey of 5-methoxy-2,3-dihydro-1H-pyrrole?
The InChIKey is QLPXKYBQRVRKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h3,6H,2,4H2,1H3.
What are the key properties of 5-methoxy-2,3-dihydro-1H-pyrrole?
5-methoxy-2,3-dihydro-1H-pyrrole has a molecular weight of 99.13 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 12761828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).