2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide

C13H21NO3 — CID 102852267

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21NO3/c1-2-7-14-12(15)10-11-3-5-13(6-4-11)16-8-9-17-13/h2,11H,1,3-10H2,(H,14,15)
InChIKeyGYYLEPKWQBRGJV-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.61
Rot. Bonds4

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide

2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide (PubChem CID 102852267) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide
PubChem CID102852267
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21NO3/c1-2-7-14-12(15)10-11-3-5-13(6-4-11)16-8-9-17-13/h2,11H,1,3-10H2,(H,14,15)
InChIKeyGYYLEPKWQBRGJV-UHFFFAOYSA-N
XLogP1.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-prop-2-enylurea
CID 130752274
N-cyclopentyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 102852259
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
CID 102852256
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 130067842
N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 125142021
2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide
CID 110848144
N-prop-2-enyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
CID 3766058
2-piperidin-3-yl-N-prop-2-enylacetamide
CID 62676827
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide
CID 102852254
8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
CID 58749727

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide (CID 102852267) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide?
The InChIKey is GYYLEPKWQBRGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-7-14-12(15)10-11-3-5-13(6-4-11)16-8-9-17-13/h2,11H,1,3-10H2,(H,14,15).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide has a molecular weight of 239.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 102852267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).