4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene

C12H17N — CID 66486601

IUPAC4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESC=CCN1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C12H17N/c1-2-5-13-7-11-9-3-4-10(6-9)12(11)8-13/h2-4,9-12H,1,5-8H2
InChIKeyYIZHEOSIIXUGSV-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.93
Rot. Bonds2

About 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene

4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 66486601) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID66486601
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESC=CCN1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C12H17N/c1-2-5-13-7-11-9-3-4-10(6-9)12(11)8-13/h2-4,9-12H,1,5-8H2
InChIKeyYIZHEOSIIXUGSV-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enylpyrrolidine-3,4-diol
CID 72779960
2-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 118017653
4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 15223361
3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane
CID 70507723
(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol
CID 22624487
5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene
CID 23119553
3-phenyl-1-prop-2-enylazetidine
CID 23632
4-[3-[(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]morpholine
CID 54603713
(1S,2S,5R,6R)-3-prop-2-enyl-3-azatricyclo[4.2.1.02,5]non-7-en-4-one
CID 177467622
2,4,6-tris(prop-2-enyl)morpholine
CID 118117986
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
(2S,6R)-4-ethylsulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 154841528

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 66486601) is 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene is C=CCN1CC2C3C=CC(C3)C2C1.
What is the InChIKey of 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is YIZHEOSIIXUGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-5-13-7-11-9-3-4-10(6-9)12(11)8-13/h2-4,9-12H,1,5-8H2.
What are the key properties of 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 175.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 66486601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).