10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione

C18H25NO2 — CID 67269330

IUPAC10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
SMILESC=CCN1C(=O)C2=C(C1=O)C1CCC2C1CCCCCC
InChIInChI=1S/C18H25NO2/c1-3-5-6-7-8-12-13-9-10-14(12)16-15(13)17(20)19(11-4-2)18(16)21/h4,12-14H,2-3,5-11H2,1H3
InChIKeyFMVLDGOKZOMKOD-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.46
Rot. Bonds7

About 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione

10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione (PubChem CID 67269330) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione.

Molecular Properties

Compound Name10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
PubChem CID67269330
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
SMILESC=CCN1C(=O)C2=C(C1=O)C1CCC2C1CCCCCC
InChIInChI=1S/C18H25NO2/c1-3-5-6-7-8-12-13-9-10-14(12)16-15(13)17(20)19(11-4-2)18(16)21/h4,12-14H,2-3,5-11H2,1H3
InChIKeyFMVLDGOKZOMKOD-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-heptyl-2-methyl-1-azabicyclo[2.2.1]heptan-7-one
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3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
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1a-pentyl-4-prop-2-enyl-2a,5a,6,6a-tetrahydro-2H-oxireno[2,3-f]isoindole-3,5-dione
CID 87332200
trans-(2S,3S)-2-pentyl-3-prop-2-enylcyclopentan-1-one
CID 134987535
cis-(2R,3S)-2-pentyl-3-prop-2-enylcyclopentan-1-one
CID 101144207
3-prop-2-enyl-5-propylimidazolidine-2,4-dione
CID 170447663
1-butyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 89280580
6-hexyl-1-prop-2-enyl-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 3928550
2-decylbicyclo[1.1.0]butane
CID 123632675
1-[8-[2-[8-(2,5-dioxopyrrol-1-yl)octyl]-3-hexyl-4-octylcyclohexyl]octyl]pyrrole-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
The IUPAC name of 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione (CID 67269330) is 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione.
What is the SMILES notation for 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
The canonical SMILES for 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione is C=CCN1C(=O)C2=C(C1=O)C1CCC2C1CCCCCC.
What is the InChIKey of 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
The InChIKey is FMVLDGOKZOMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-5-6-7-8-12-13-9-10-14(12)16-15(13)17(20)19(11-4-2)18(16)21/h4,12-14H,2-3,5-11H2,1H3.
What are the key properties of 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione?
10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione has a molecular weight of 287.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hexyl-4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione is sourced from PubChem (CID 67269330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).