2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one

C14H25NO3 — CID 79544470

IUPAC2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCOCC(O)CN1CCCC1C1CCCC1=O
InChIInChI=1S/C14H25NO3/c1-2-18-10-11(16)9-15-8-4-6-13(15)12-5-3-7-14(12)17/h11-13,16H,2-10H2,1H3
InChIKeyVISGCPAJFNFGHI-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.22
Rot. Bonds6

About 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79544470) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79544470
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCOCC(O)CN1CCCC1C1CCCC1=O
InChIInChI=1S/C14H25NO3/c1-2-18-10-11(16)9-15-8-4-6-13(15)12-5-3-7-14(12)17/h11-13,16H,2-10H2,1H3
InChIKeyVISGCPAJFNFGHI-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79544470) is 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one is CCOCC(O)CN1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is VISGCPAJFNFGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-18-10-11(16)9-15-8-4-6-13(15)12-5-3-7-14(12)17/h11-13,16H,2-10H2,1H3.
What are the key properties of 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 255.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79544470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).