1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine

C11H14N2 — CID 155329346

IUPAC1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine
SMILESC=N/C=C\N=C\[C@H]1C=CC=CCC1
InChIInChI=1S/C11H14N2/c1-12-8-9-13-10-11-6-4-2-3-5-7-11/h2-4,6,8-11H,1,5,7H2/b9-8-,13-10+/t11-/m0/s1
InChIKeyPJHUUUTWZZVVHG-ZMRYWAQCSA-N
MW174.25 g/mol
LogP2.75
Rot. Bonds3

About 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine

1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine (PubChem CID 155329346) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine.

Molecular Properties

Compound Name1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine
PubChem CID155329346
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine
SMILESC=N/C=C\N=C\[C@H]1C=CC=CCC1
InChIInChI=1S/C11H14N2/c1-12-8-9-13-10-11-6-4-2-3-5-7-11/h2-4,6,8-11H,1,5,7H2/b9-8-,13-10+/t11-/m0/s1
InChIKeyPJHUUUTWZZVVHG-ZMRYWAQCSA-N
XLogP2.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine?
The IUPAC name of 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine (CID 155329346) is 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine.
What is the SMILES notation for 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine?
The canonical SMILES for 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine is C=N/C=C\N=C\[C@H]1C=CC=CCC1.
What is the InChIKey of 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine?
The InChIKey is PJHUUUTWZZVVHG-ZMRYWAQCSA-N. The full InChI is InChI=1S/C11H14N2/c1-12-8-9-13-10-11-6-4-2-3-5-7-11/h2-4,6,8-11H,1,5,7H2/b9-8-,13-10+/t11-/m0/s1.
What are the key properties of 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine?
1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine has a molecular weight of 174.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohepta-2,4-dien-1-yl]-N-[(Z)-2-(methylideneamino)ethenyl]methanimine is sourced from PubChem (CID 155329346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).