1,3-dioxolan-2-ylmethyl 6-formamidohexanoate

C11H19NO5 — CID 142134217

IUPAC1,3-dioxolan-2-ylmethyl 6-formamidohexanoate
SMILESO=CNCCCCCC(=O)OCC1OCCO1
InChIInChI=1S/C11H19NO5/c13-9-12-5-3-1-2-4-10(14)17-8-11-15-6-7-16-11/h9,11H,1-8H2,(H,12,13)
InChIKeyNPYNPMLXRHOVHZ-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.21
Rot. Bonds9

About 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate

1,3-dioxolan-2-ylmethyl 6-formamidohexanoate (PubChem CID 142134217) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate.

Molecular Properties

Compound Name1,3-dioxolan-2-ylmethyl 6-formamidohexanoate
PubChem CID142134217
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1,3-dioxolan-2-ylmethyl 6-formamidohexanoate
SMILESO=CNCCCCCC(=O)OCC1OCCO1
InChIInChI=1S/C11H19NO5/c13-9-12-5-3-1-2-4-10(14)17-8-11-15-6-7-16-11/h9,11H,1-8H2,(H,12,13)
InChIKeyNPYNPMLXRHOVHZ-UHFFFAOYSA-N
XLogP0.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate?
The IUPAC name of 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate (CID 142134217) is 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate.
What is the SMILES notation for 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate?
The canonical SMILES for 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate is O=CNCCCCCC(=O)OCC1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate?
The InChIKey is NPYNPMLXRHOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c13-9-12-5-3-1-2-4-10(14)17-8-11-15-6-7-16-11/h9,11H,1-8H2,(H,12,13).
What are the key properties of 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate?
1,3-dioxolan-2-ylmethyl 6-formamidohexanoate has a molecular weight of 245.27 g/mol, XLogP of 0.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-ylmethyl 6-formamidohexanoate is sourced from PubChem (CID 142134217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).