N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide

C12H12N2 — CID 90722831

IUPACN'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide
SMILESC=C/N=C(\N=C)C1=CC=CC=CC=C1
InChIInChI=1S/C12H12N2/c1-3-14-12(13-2)11-9-7-5-4-6-8-10-11/h3-10H,1-2H2/b5-4?,6-4?,7-5?,8-6?,9-7?,10-8?,11-9?,11-10?,14-12-
InChIKeyMWLSCAIBVMNECG-XNNOLFOBSA-N
MW184.24 g/mol
LogP2.84
Rot. Bonds2

About N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide

N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide (PubChem CID 90722831) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide
PubChem CID90722831
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC NameN'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide
SMILESC=C/N=C(\N=C)C1=CC=CC=CC=C1
InChIInChI=1S/C12H12N2/c1-3-14-12(13-2)11-9-7-5-4-6-8-10-11/h3-10H,1-2H2/b5-4?,6-4?,7-5?,8-6?,9-7?,10-8?,11-9?,11-10?,14-12-
InChIKeyMWLSCAIBVMNECG-XNNOLFOBSA-N
XLogP2.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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2,8-Diazabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
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(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine
CID 67754598
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
CID 85976245
CID 85976245
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
N'-methyl-N-methylidenecyclooctatetraenecarboximidamide
CID 123510649
N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 126593325
(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene
CID 130252124
N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine
CID 130294574
(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide
CID 134224060

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide?
The IUPAC name of N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide (CID 90722831) is N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide.
What is the SMILES notation for N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide?
The canonical SMILES for N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide is C=C/N=C(\N=C)C1=CC=CC=CC=C1.
What is the InChIKey of N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide?
The InChIKey is MWLSCAIBVMNECG-XNNOLFOBSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-14-12(13-2)11-9-7-5-4-6-8-10-11/h3-10H,1-2H2/b5-4?,6-4?,7-5?,8-6?,9-7?,10-8?,11-9?,11-10?,14-12-.
What are the key properties of N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide?
N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide has a molecular weight of 184.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methylidenecyclooctatetraenecarboximidamide is sourced from PubChem (CID 90722831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).