5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide

C11H20ClNO3 — CID 104759836

IUPAC5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide
SMILESCOC1(CNC(=O)CCCCCl)CCOC1
InChIInChI=1S/C11H20ClNO3/c1-15-11(5-7-16-9-11)8-13-10(14)4-2-3-6-12/h2-9H2,1H3,(H,13,14)
InChIKeyZNQKLKSTOAXIIF-UHFFFAOYSA-N
MW249.74 g/mol
LogP1.32
Rot. Bonds7

About 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide

5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide (PubChem CID 104759836) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide
PubChem CID104759836
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Name5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide
SMILESCOC1(CNC(=O)CCCCCl)CCOC1
InChIInChI=1S/C11H20ClNO3/c1-15-11(5-7-16-9-11)8-13-10(14)4-2-3-6-12/h2-9H2,1H3,(H,13,14)
InChIKeyZNQKLKSTOAXIIF-UHFFFAOYSA-N
XLogP1.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide (CID 104759836) is 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide is COC1(CNC(=O)CCCCCl)CCOC1.
What is the InChIKey of 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide?
The InChIKey is ZNQKLKSTOAXIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3/c1-15-11(5-7-16-9-11)8-13-10(14)4-2-3-6-12/h2-9H2,1H3,(H,13,14).
What are the key properties of 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide?
5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide has a molecular weight of 249.74 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide is sourced from PubChem (CID 104759836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).