(E)-5-imino-2,4-dimethylpent-2-enal

C7H11NO — CID 134394643

IUPAC(E)-5-imino-2,4-dimethylpent-2-enal
SMILES[H]/N=C/C(C)/C=C(\C)C=O
InChIInChI=1S/C7H11NO/c1-6(4-8)3-7(2)5-9/h3-6,8H,1-2H3/b7-3+,8-4+
InChIKeyUQGIDPLYPLPCPR-FCXRPNKRSA-N
MW125.17 g/mol
LogP1.42
Rot. Bonds3

About (E)-5-imino-2,4-dimethylpent-2-enal

(E)-5-imino-2,4-dimethylpent-2-enal (PubChem CID 134394643) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-5-imino-2,4-dimethylpent-2-enal.

Molecular Properties

Compound Name(E)-5-imino-2,4-dimethylpent-2-enal
PubChem CID134394643
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(E)-5-imino-2,4-dimethylpent-2-enal
SMILES[H]/N=C/C(C)/C=C(\C)C=O
InChIInChI=1S/C7H11NO/c1-6(4-8)3-7(2)5-9/h3-6,8H,1-2H3/b7-3+,8-4+
InChIKeyUQGIDPLYPLPCPR-FCXRPNKRSA-N
XLogP1.42
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.42
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Iminopent-2-enal
CID 91398260
(Z,2E)-2-(2-iminoethylidene)pent-3-enal
CID 122549879
5-Methyl-2,5-dihydropyridine-3-carbaldehyde
CID 123736453
(2E,4Z)-4-methanimidoylhexa-2,4-dienal
CID 142280902
(2E,4E,6E)-2-methanimidoyl-4-methyl-6-(2-methylprop-1-enyl)nona-2,4,6,8-tetraenal
CID 145324733
(Z)-5-imino-4-methyl-2-propan-2-ylidenepent-3-enal
CID 146289001
(E)-2-ethyl-4-iminobut-2-enal
CID 149577813
(Z)-6-imino-3-methylhex-2-enal
CID 163584793
(Z)-2-ethyl-4-iminobut-2-enal
CID 173105533
(E)-3-methanimidoyl-2-methylidenepent-3-enal
CID 172299864

Frequently Asked Questions

What is the IUPAC name of (E)-5-imino-2,4-dimethylpent-2-enal?
The IUPAC name of (E)-5-imino-2,4-dimethylpent-2-enal (CID 134394643) is (E)-5-imino-2,4-dimethylpent-2-enal.
What is the SMILES notation for (E)-5-imino-2,4-dimethylpent-2-enal?
The canonical SMILES for (E)-5-imino-2,4-dimethylpent-2-enal is [H]/N=C/C(C)/C=C(\C)C=O.
What is the InChIKey of (E)-5-imino-2,4-dimethylpent-2-enal?
The InChIKey is UQGIDPLYPLPCPR-FCXRPNKRSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(4-8)3-7(2)5-9/h3-6,8H,1-2H3/b7-3+,8-4+.
What are the key properties of (E)-5-imino-2,4-dimethylpent-2-enal?
(E)-5-imino-2,4-dimethylpent-2-enal has a molecular weight of 125.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-imino-2,4-dimethylpent-2-enal is sourced from PubChem (CID 134394643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).