2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine

C12H18N2 — CID 143136182

IUPAC2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine
SMILESC=C/N=C1\CCCCC\C1=N/C=C\C
InChIInChI=1S/C12H18N2/c1-3-10-14-12-9-7-5-6-8-11(12)13-4-2/h3-4,10H,2,5-9H2,1H3/b10-3-,13-11+,14-12+
InChIKeyRIVUQZKDXVBGRJ-LUBZRJLWSA-N
MW190.29 g/mol
LogP3.51
Rot. Bonds2

About 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine

2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine (PubChem CID 143136182) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine.

Molecular Properties

Compound Name2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine
PubChem CID143136182
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine
SMILESC=C/N=C1\CCCCC\C1=N/C=C\C
InChIInChI=1S/C12H18N2/c1-3-10-14-12-9-7-5-6-8-11(12)13-4-2/h3-4,10H,2,5-9H2,1H3/b10-3-,13-11+,14-12+
InChIKeyRIVUQZKDXVBGRJ-LUBZRJLWSA-N
XLogP3.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine?
The IUPAC name of 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine (CID 143136182) is 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine.
What is the SMILES notation for 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine?
The canonical SMILES for 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine is C=C/N=C1\CCCCC\C1=N/C=C\C.
What is the InChIKey of 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine?
The InChIKey is RIVUQZKDXVBGRJ-LUBZRJLWSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-10-14-12-9-7-5-6-8-11(12)13-4-2/h3-4,10H,2,5-9H2,1H3/b10-3-,13-11+,14-12+.
What are the key properties of 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine?
2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine has a molecular weight of 190.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine is sourced from PubChem (CID 143136182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).