1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole

C9H17NO — CID 175903549

IUPAC1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole
SMILESCOCCCN1CCC=C1C
InChIInChI=1S/C9H17NO/c1-9-5-3-6-10(9)7-4-8-11-2/h5H,3-4,6-8H2,1-2H3
InChIKeyXSJXRQVQTFSBRE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds4

About 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole

1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole (PubChem CID 175903549) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole
PubChem CID175903549
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole
SMILESCOCCCN1CCC=C1C
InChIInChI=1S/C9H17NO/c1-9-5-3-6-10(9)7-4-8-11-2/h5H,3-4,6-8H2,1-2H3
InChIKeyXSJXRQVQTFSBRE-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole?
The IUPAC name of 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole (CID 175903549) is 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole?
The canonical SMILES for 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole is COCCCN1CCC=C1C.
What is the InChIKey of 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole?
The InChIKey is XSJXRQVQTFSBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9-5-3-6-10(9)7-4-8-11-2/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole?
1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole has a molecular weight of 155.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 175903549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).