[3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate

C11H17NO3 — CID 91806185

IUPAC[3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESC=CCNC1C=CC(COC(C)=O)OC1
InChIInChI=1S/C11H17NO3/c1-3-6-12-10-4-5-11(15-7-10)8-14-9(2)13/h3-5,10-12H,1,6-8H2,2H3
InChIKeyHRVLPSFRUBQWLN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.65
Rot. Bonds5

About [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate

[3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate (PubChem CID 91806185) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
PubChem CID91806185
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESC=CCNC1C=CC(COC(C)=O)OC1
InChIInChI=1S/C11H17NO3/c1-3-6-12-10-4-5-11(15-7-10)8-14-9(2)13/h3-5,10-12H,1,6-8H2,2H3
InChIKeyHRVLPSFRUBQWLN-UHFFFAOYSA-N
XLogP0.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 10933640
[(2S,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 11791340
[(2R,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592565
[(2R,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592566
[(3R)-1,2,3,6-tetrahydropyridin-3-yl] acetate
CID 134965840
(3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate
CID 66806594
{(5S)-5-[(tert-Butoxycarbonyl)amino]-5,6-dihydro-2H-pyran-2-yl}methyl acetate
CID 86717461
[(5S)-5-Amino-5,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 86717462
[(3R)-3-amino-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 90108029
[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 90109071
[(3R,6R)-3-(pent-4-enoylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 90687448
[(3R,6R)-3-(methylcarbamothioylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 91131254

Frequently Asked Questions

What is the IUPAC name of [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The IUPAC name of [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate (CID 91806185) is [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate.
What is the SMILES notation for [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The canonical SMILES for [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate is C=CCNC1C=CC(COC(C)=O)OC1.
What is the InChIKey of [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The InChIKey is HRVLPSFRUBQWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-6-12-10-4-5-11(15-7-10)8-14-9(2)13/h3-5,10-12H,1,6-8H2,2H3.
What are the key properties of [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
[3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate has a molecular weight of 211.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate is sourced from PubChem (CID 91806185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).