(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine

C9H13N — CID 89078069

IUPAC(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine
SMILESN/C=C/C1CC2C=CC1C2
InChIInChI=1S/C9H13N/c10-4-3-9-6-7-1-2-8(9)5-7/h1-4,7-9H,5-6,10H2/b4-3+
InChIKeyVFCPDXRRFUMQHY-ONEGZZNKSA-N
MW135.21 g/mol
LogP1.67
Rot. Bonds1

About (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine

(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine (PubChem CID 89078069) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine.

Molecular Properties

Compound Name(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine
PubChem CID89078069
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine
SMILESN/C=C/C1CC2C=CC1C2
InChIInChI=1S/C9H13N/c10-4-3-9-6-7-1-2-8(9)5-7/h1-4,7-9H,5-6,10H2/b4-3+
InChIKeyVFCPDXRRFUMQHY-ONEGZZNKSA-N
XLogP1.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 58746218
5-but-1-enylbicyclo[2.2.1]hept-2-ene
CID 54508174
5-buta-1,3-dienylbicyclo[2.2.1]hept-2-ene
CID 54145827
(4R)-bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 118065983
(1R,4S,5S)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6427482
(5R)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6428575
(E)-3-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-enoic acid
CID 44607797
(E)-4-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbut-3-en-2-ol
CID 12567594
5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 18522509
sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride
CID 173449401
5-hex-1-enylbicyclo[2.2.1]hept-2-ene
CID 54301610
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethenone
CID 134893122

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine?
The IUPAC name of (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine (CID 89078069) is (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine.
What is the SMILES notation for (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine?
The canonical SMILES for (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine is N/C=C/C1CC2C=CC1C2.
What is the InChIKey of (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine?
The InChIKey is VFCPDXRRFUMQHY-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H13N/c10-4-3-9-6-7-1-2-8(9)5-7/h1-4,7-9H,5-6,10H2/b4-3+.
What are the key properties of (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine?
(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine has a molecular weight of 135.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine is sourced from PubChem (CID 89078069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).