(Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine

C10H11BrN2 — CID 118592363

IUPAC(Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine
SMILESC=C1C=C(CBr)C=C/C1=N\C=C/N
InChIInChI=1S/C10H11BrN2/c1-8-6-9(7-11)2-3-10(8)13-5-4-12/h2-6H,1,7,12H2/b5-4-,13-10+
InChIKeyQYPWIEXMNKNHGM-GNPUEAEQSA-N
MW239.12 g/mol
LogP2.30
Rot. Bonds2

About (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine

(Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine (PubChem CID 118592363) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine.

Molecular Properties

Compound Name(Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine
PubChem CID118592363
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name(Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine
SMILESC=C1C=C(CBr)C=C/C1=N\C=C/N
InChIInChI=1S/C10H11BrN2/c1-8-6-9(7-11)2-3-10(8)13-5-4-12/h2-6H,1,7,12H2/b5-4-,13-10+
InChIKeyQYPWIEXMNKNHGM-GNPUEAEQSA-N
XLogP2.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine?
The IUPAC name of (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine (CID 118592363) is (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine.
What is the SMILES notation for (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine?
The canonical SMILES for (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine is C=C1C=C(CBr)C=C/C1=N\C=C/N.
What is the InChIKey of (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine?
The InChIKey is QYPWIEXMNKNHGM-GNPUEAEQSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-8-6-9(7-11)2-3-10(8)13-5-4-12/h2-6H,1,7,12H2/b5-4-,13-10+.
What are the key properties of (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine?
(Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine has a molecular weight of 239.12 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[4-(bromomethyl)-6-methylidenecyclohexa-2,4-dien-1-ylidene]amino]ethenamine is sourced from PubChem (CID 118592363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).