N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide

C12H19NO3 — CID 18583913

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C1CC1
InChIInChI=1S/C12H19NO3/c14-11(9-3-4-9)13-7-10-8-15-12(16-10)5-1-2-6-12/h9-10H,1-8H2,(H,13,14)
InChIKeyLIGJZYPNCAIMGO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds3

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide (PubChem CID 18583913) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide
PubChem CID18583913
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C1CC1
InChIInChI=1S/C12H19NO3/c14-11(9-3-4-9)13-7-10-8-15-12(16-10)5-1-2-6-12/h9-10H,1-8H2,(H,13,14)
InChIKeyLIGJZYPNCAIMGO-UHFFFAOYSA-N
XLogP1.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
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[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide (CID 18583913) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide is O=C(NCC1COC2(CCCC2)O1)C1CC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide?
The InChIKey is LIGJZYPNCAIMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(9-3-4-9)13-7-10-8-15-12(16-10)5-1-2-6-12/h9-10H,1-8H2,(H,13,14).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.20, 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[4.4]nonan-3-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 18583913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).