1-(3-methoxypropyl)-5-methylpyrrolidin-2-one

C9H17NO2 — CID 146161746

IUPAC1-(3-methoxypropyl)-5-methylpyrrolidin-2-one
SMILESCOCCCN1C(=O)CCC1C
InChIInChI=1S/C9H17NO2/c1-8-4-5-9(11)10(8)6-3-7-12-2/h8H,3-7H2,1-2H3
InChIKeyQLWDROLWYZGEDU-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds4

About 1-(3-methoxypropyl)-5-methylpyrrolidin-2-one

1-(3-methoxypropyl)-5-methylpyrrolidin-2-one (PubChem CID 146161746) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-methylpyrrolidin-2-one
PubChem CID146161746
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3-methoxypropyl)-5-methylpyrrolidin-2-one
SMILESCOCCCN1C(=O)CCC1C
InChIInChI=1S/C9H17NO2/c1-8-4-5-9(11)10(8)6-3-7-12-2/h8H,3-7H2,1-2H3
InChIKeyQLWDROLWYZGEDU-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
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-methylpyrrolidin-2-one?
The IUPAC name of 1-(3-methoxypropyl)-5-methylpyrrolidin-2-one (CID 146161746) is 1-(3-methoxypropyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-5-methylpyrrolidin-2-one is COCCCN1C(=O)CCC1C.
What is the InChIKey of 1-(3-methoxypropyl)-5-methylpyrrolidin-2-one?
The InChIKey is QLWDROLWYZGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8-4-5-9(11)10(8)6-3-7-12-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-5-methylpyrrolidin-2-one?
1-(3-methoxypropyl)-5-methylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.03, 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-methylpyrrolidin-2-one is sourced from PubChem (CID 146161746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).