3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole

C8H13NO2 — CID 146660683

IUPAC3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole
SMILESC=C(C)OC1=CNCC1OC
InChIInChI=1S/C8H13NO2/c1-6(2)11-8-5-9-4-7(8)10-3/h5,7,9H,1,4H2,2-3H3
InChIKeyFPAUGNBUZMHBNO-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.00
Rot. Bonds3

About 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole

3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole (PubChem CID 146660683) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole
PubChem CID146660683
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole
SMILESC=C(C)OC1=CNCC1OC
InChIInChI=1S/C8H13NO2/c1-6(2)11-8-5-9-4-7(8)10-3/h5,7,9H,1,4H2,2-3H3
InChIKeyFPAUGNBUZMHBNO-UHFFFAOYSA-N
XLogP1.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole (CID 146660683) is 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole is C=C(C)OC1=CNCC1OC.
What is the InChIKey of 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole?
The InChIKey is FPAUGNBUZMHBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)11-8-5-9-4-7(8)10-3/h5,7,9H,1,4H2,2-3H3.
What are the key properties of 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole?
3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole has a molecular weight of 155.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-prop-1-en-2-yloxy-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 146660683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).