(2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine

C8H11N — CID 126599320

IUPAC(2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine
SMILESC=C/N=C/C=C(/C)C=C
InChIInChI=1S/C8H11N/c1-4-8(3)6-7-9-5-2/h4-7H,1-2H2,3H3/b8-6-,9-7+
InChIKeyHRJJSRYLMZXJLH-MKKAVFGOSA-N
MW121.18 g/mol
LogP2.33
Rot. Bonds3

About (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine

(2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine (PubChem CID 126599320) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine
PubChem CID126599320
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine
SMILESC=C/N=C/C=C(/C)C=C
InChIInChI=1S/C8H11N/c1-4-8(3)6-7-9-5-2/h4-7H,1-2H2,3H3/b8-6-,9-7+
InChIKeyHRJJSRYLMZXJLH-MKKAVFGOSA-N
XLogP2.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E)-5-(dimethylamino)-3-methyl-2,4-pentadienylidene]bis(methyl)azanium
CID 2046519
Benzazocine
CID 19879720
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
Ethylidene 3h pyrrol
CID 129814507
2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
CID 123607072
N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
CID 143398737
N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride
CID 155133424
Aza[14]annulene
CID 12588520
4-Methyl-2-pyridyllithium
CID 16182949
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
1,7-Diazacyclododeca-1,3,5,7,9,11-hexaene
CID 91264072
4-methyl-2H-pyridin-2-ide
CID 125458985

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine (CID 126599320) is (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine is C=C/N=C/C=C(/C)C=C.
What is the InChIKey of (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine?
The InChIKey is HRJJSRYLMZXJLH-MKKAVFGOSA-N. The full InChI is InChI=1S/C8H11N/c1-4-8(3)6-7-9-5-2/h4-7H,1-2H2,3H3/b8-6-,9-7+.
What are the key properties of (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine?
(2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethenyl-3-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 126599320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).