N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine

C9H12N2 — CID 137396789

IUPACN'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine
SMILESC=C=NC/C=N/C=C\C(=C)C
InChIInChI=1S/C9H12N2/c1-4-10-7-8-11-6-5-9(2)3/h5-6,8H,1-2,7H2,3H3/b6-5-,11-8+
InChIKeyACRFOSUICHCZDP-ZLQDEDOTSA-N
MW148.21 g/mol
LogP2.00
Rot. Bonds4

About N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine

N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine (PubChem CID 137396789) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine
PubChem CID137396789
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine
SMILESC=C=NC/C=N/C=C\C(=C)C
InChIInChI=1S/C9H12N2/c1-4-10-7-8-11-6-5-9(2)3/h5-6,8H,1-2,7H2,3H3/b6-5-,11-8+
InChIKeyACRFOSUICHCZDP-ZLQDEDOTSA-N
XLogP2.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 2046519
CID 2046519
CID 123607072
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CID 155133424
CID 155133424
CID 498425
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CID 142182118
CID 142182118
CID 5935493
CID 5935493
CID 14792735
CID 14792735
CID 22086823
CID 22086823
CID 53833808
CID 53833808
CID 59967158
CID 59967158
CID 88228740
CID 88228740
CID 88858217
CID 88858217

Frequently Asked Questions

What is the IUPAC name of N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine?
The IUPAC name of N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine (CID 137396789) is N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine.
What is the SMILES notation for N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine?
The canonical SMILES for N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine is C=C=NC/C=N/C=C\C(=C)C.
What is the InChIKey of N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine?
The InChIKey is ACRFOSUICHCZDP-ZLQDEDOTSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-10-7-8-11-6-5-9(2)3/h5-6,8H,1-2,7H2,3H3/b6-5-,11-8+.
What are the key properties of N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine?
N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine has a molecular weight of 148.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenylidene-N-[(1Z)-3-methylbuta-1,3-dienyl]ethane-1,2-diimine is sourced from PubChem (CID 137396789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).