6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

C11H13N — CID 143041258

IUPAC6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESC=CC12CC1C=NC=C2C(=C)C
InChIInChI=1S/C11H13N/c1-4-11-5-9(11)6-12-7-10(11)8(2)3/h4,6-7,9H,1-2,5H2,3H3
InChIKeyNFBRGXXKNOGDAZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.72
Rot. Bonds2

About 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene

6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143041258) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID143041258
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESC=CC12CC1C=NC=C2C(=C)C
InChIInChI=1S/C11H13N/c1-4-11-5-9(11)6-12-7-10(11)8(2)3/h4,6-7,9H,1-2,5H2,3H3
InChIKeyNFBRGXXKNOGDAZ-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 143041258) is 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is C=CC12CC1C=NC=C2C(=C)C.
What is the InChIKey of 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is NFBRGXXKNOGDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-4-11-5-9(11)6-12-7-10(11)8(2)3/h4,6-7,9H,1-2,5H2,3H3.
What are the key properties of 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene?
6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 159.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-prop-1-en-2-yl-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143041258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).