2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one

C16H29NO3 — CID 103409847

IUPAC2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCOCCOCCCN1CCCC1C1CCCCC1=O
InChIInChI=1S/C16H29NO3/c1-19-12-13-20-11-5-10-17-9-4-7-15(17)14-6-2-3-8-16(14)18/h14-15H,2-13H2,1H3
InChIKeyOECOJDQIZOJAQM-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.26
Rot. Bonds8

About 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one

2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 103409847) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID103409847
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCOCCOCCCN1CCCC1C1CCCCC1=O
InChIInChI=1S/C16H29NO3/c1-19-12-13-20-11-5-10-17-9-4-7-15(17)14-6-2-3-8-16(14)18/h14-15H,2-13H2,1H3
InChIKeyOECOJDQIZOJAQM-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one (CID 103409847) is 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one is COCCOCCCN1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is OECOJDQIZOJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-19-12-13-20-11-5-10-17-9-4-7-15(17)14-6-2-3-8-16(14)18/h14-15H,2-13H2,1H3.
What are the key properties of 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 283.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 103409847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).