N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide

C13H21NO3 — CID 18583784

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C13H21NO3/c15-12(10-4-5-10)14-8-11-9-16-13(17-11)6-2-1-3-7-13/h10-11H,1-9H2,(H,14,15)
InChIKeyVLMXLQJYGBCIGV-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.59
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide (PubChem CID 18583784) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide
PubChem CID18583784
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C1CC1
InChIInChI=1S/C13H21NO3/c15-12(10-4-5-10)14-8-11-9-16-13(17-11)6-2-1-3-7-13/h10-11H,1-9H2,(H,14,15)
InChIKeyVLMXLQJYGBCIGV-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide (CID 18583784) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide is O=C(NCC1COC2(CCCCC2)O1)C1CC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide?
The InChIKey is VLMXLQJYGBCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(10-4-5-10)14-8-11-9-16-13(17-11)6-2-1-3-7-13/h10-11H,1-9H2,(H,14,15).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide has a molecular weight of 239.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 18583784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).