2-imino-3,4-dimethylpent-3-enal

C7H11NO — CID 143430674

IUPAC2-imino-3,4-dimethylpent-3-enal
SMILES[H]/N=C(\C=O)C(C)=C(C)C
InChIInChI=1S/C7H11NO/c1-5(2)6(3)7(8)4-9/h4,8H,1-3H3/b8-7+
InChIKeyYZTHOFOUBBHPHK-BQYQJAHWSA-N
MW125.17 g/mol
LogP1.56
Rot. Bonds2

About 2-imino-3,4-dimethylpent-3-enal

2-imino-3,4-dimethylpent-3-enal (PubChem CID 143430674) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-imino-3,4-dimethylpent-3-enal.

Molecular Properties

Compound Name2-imino-3,4-dimethylpent-3-enal
PubChem CID143430674
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-imino-3,4-dimethylpent-3-enal
SMILES[H]/N=C(\C=O)C(C)=C(C)C
InChIInChI=1S/C7H11NO/c1-5(2)6(3)7(8)4-9/h4,8H,1-3H3/b8-7+
InChIKeyYZTHOFOUBBHPHK-BQYQJAHWSA-N
XLogP1.56
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-ethanimidoylbut-2-enal
CID 91129706
(E)-3-amino-2-ethanimidoylbut-2-enal
CID 143643971
(Z)-4-amino-2-imino-3-methylhex-3-enal
CID 155470710
(Z)-4-hydrazinylidene-2,3-dimethylpent-2-enedial
CID 173576469
(E)-2-ethanimidoyl-4-iminopent-2-enal
CID 142310890
2-Imino-4-methylpent-3-enal
CID 143827156
2-Ethanimidoyl-3-methylbut-2-enal
CID 144141785

Frequently Asked Questions

What is the IUPAC name of 2-imino-3,4-dimethylpent-3-enal?
The IUPAC name of 2-imino-3,4-dimethylpent-3-enal (CID 143430674) is 2-imino-3,4-dimethylpent-3-enal.
What is the SMILES notation for 2-imino-3,4-dimethylpent-3-enal?
The canonical SMILES for 2-imino-3,4-dimethylpent-3-enal is [H]/N=C(\C=O)C(C)=C(C)C.
What is the InChIKey of 2-imino-3,4-dimethylpent-3-enal?
The InChIKey is YZTHOFOUBBHPHK-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11NO/c1-5(2)6(3)7(8)4-9/h4,8H,1-3H3/b8-7+.
What are the key properties of 2-imino-3,4-dimethylpent-3-enal?
2-imino-3,4-dimethylpent-3-enal has a molecular weight of 125.17 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3,4-dimethylpent-3-enal is sourced from PubChem (CID 143430674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).