3-(4-methylpentoxy)pyrrolidin-2-one

C10H19NO2 — CID 175505584

IUPAC3-(4-methylpentoxy)pyrrolidin-2-one
SMILESCC(C)CCCOC1CCNC1=O
InChIInChI=1S/C10H19NO2/c1-8(2)4-3-7-13-9-5-6-11-10(9)12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyMNWJKHGKYGJYNH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds5

About 3-(4-methylpentoxy)pyrrolidin-2-one

3-(4-methylpentoxy)pyrrolidin-2-one (PubChem CID 175505584) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(4-methylpentoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-methylpentoxy)pyrrolidin-2-one
PubChem CID175505584
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(4-methylpentoxy)pyrrolidin-2-one
SMILESCC(C)CCCOC1CCNC1=O
InChIInChI=1S/C10H19NO2/c1-8(2)4-3-7-13-9-5-6-11-10(9)12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyMNWJKHGKYGJYNH-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopropoxy)azepan-2-one
CID 164664183
[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate
CID 156835139
(3R)-3-(4-methylpentoxy)pyrrolidine
CID 115460364
3-(6-methylheptan-2-ylamino)azepan-2-one
CID 60719494
3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one
CID 106460167
4-(4-methylpentoxy)azepane
CID 63904463
3-propan-2-yloxypiperidin-2-one
CID 45090949
4-methylpentyl 2-piperidin-4-ylacetate
CID 79608603
3-(2-piperidin-2-ylethoxy)azepan-2-one
CID 106937963
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
3-cyclopentyloxypyrrolidin-2-one
CID 164903698
3-(6-methylheptoxy)azetidine
CID 165499663

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentoxy)pyrrolidin-2-one?
The IUPAC name of 3-(4-methylpentoxy)pyrrolidin-2-one (CID 175505584) is 3-(4-methylpentoxy)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-methylpentoxy)pyrrolidin-2-one?
The canonical SMILES for 3-(4-methylpentoxy)pyrrolidin-2-one is CC(C)CCCOC1CCNC1=O.
What is the InChIKey of 3-(4-methylpentoxy)pyrrolidin-2-one?
The InChIKey is MNWJKHGKYGJYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)4-3-7-13-9-5-6-11-10(9)12/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-(4-methylpentoxy)pyrrolidin-2-one?
3-(4-methylpentoxy)pyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentoxy)pyrrolidin-2-one is sourced from PubChem (CID 175505584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).