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

C10H18ClNO3 — CID 106100288

IUPAC5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
SMILESO=C(CCCCCl)NCC1(O)CCOC1
InChIInChI=1S/C10H18ClNO3/c11-5-2-1-3-9(13)12-7-10(14)4-6-15-8-10/h14H,1-8H2,(H,12,13)
InChIKeyKGPXEMKXCIJQOA-UHFFFAOYSA-N
MW235.71 g/mol
LogP0.66
Rot. Bonds6

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

5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide (PubChem CID 106100288) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
PubChem CID106100288
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
SMILESO=C(CCCCCl)NCC1(O)CCOC1
InChIInChI=1S/C10H18ClNO3/c11-5-2-1-3-9(13)12-7-10(14)4-6-15-8-10/h14H,1-8H2,(H,12,13)
InChIKeyKGPXEMKXCIJQOA-UHFFFAOYSA-N
XLogP0.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.66
H-Bond Donors ≤ 52
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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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 75389364
5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81130435
N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
CID 97243062
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
CID 97243063
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylpentanamide
CID 103525861
N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 103848908
2-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849245
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpentanamide
CID 103849272
N-[(3-hydroxyoxolan-3-yl)methyl]cyclobutanecarboxamide
CID 103849514
N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 103849519
5-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pentanamide
CID 104759836
4-chloro-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104759848

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide (CID 106100288) is 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide is O=C(CCCCCl)NCC1(O)CCOC1.
What is the InChIKey of 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide?
The InChIKey is KGPXEMKXCIJQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3/c11-5-2-1-3-9(13)12-7-10(14)4-6-15-8-10/h14H,1-8H2,(H,12,13).
What are the key properties of 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide?
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide has a molecular weight of 235.71 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide is sourced from PubChem (CID 106100288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).