(Z)-2-ethylimino-5-methylideneboranylpent-3-enal

C8H12BNO — CID 174022225

IUPAC(Z)-2-ethylimino-5-methylideneboranylpent-3-enal
SMILESC=BC/C=C\C(C=O)=N\CC
InChIInChI=1S/C8H12BNO/c1-3-10-8(7-11)5-4-6-9-2/h4-5,7H,2-3,6H2,1H3/b5-4-,10-8-
InChIKeyXGOGDOVLMQDKJM-BXPWTJTASA-N
MW149.00 g/mol
LogP0.76
Rot. Bonds5

About (Z)-2-ethylimino-5-methylideneboranylpent-3-enal

(Z)-2-ethylimino-5-methylideneboranylpent-3-enal (PubChem CID 174022225) has the molecular formula C8H12BNO and a molecular weight of 149.00 g/mol. Its IUPAC name is (Z)-2-ethylimino-5-methylideneboranylpent-3-enal.

Molecular Properties

Compound Name(Z)-2-ethylimino-5-methylideneboranylpent-3-enal
PubChem CID174022225
Molecular FormulaC8H12BNO
Molecular Weight149.00 g/mol
Exact Mass149.10
IUPAC Name(Z)-2-ethylimino-5-methylideneboranylpent-3-enal
SMILESC=BC/C=C\C(C=O)=N\CC
InChIInChI=1S/C8H12BNO/c1-3-10-8(7-11)5-4-6-9-2/h4-5,7H,2-3,6H2,1H3/b5-4-,10-8-
InChIKeyXGOGDOVLMQDKJM-BXPWTJTASA-N
XLogP0.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.00
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-ethylimino-5-methylideneboranylpent-3-enal?
The IUPAC name of (Z)-2-ethylimino-5-methylideneboranylpent-3-enal (CID 174022225) is (Z)-2-ethylimino-5-methylideneboranylpent-3-enal.
What is the SMILES notation for (Z)-2-ethylimino-5-methylideneboranylpent-3-enal?
The canonical SMILES for (Z)-2-ethylimino-5-methylideneboranylpent-3-enal is C=BC/C=C\C(C=O)=N\CC.
What is the InChIKey of (Z)-2-ethylimino-5-methylideneboranylpent-3-enal?
The InChIKey is XGOGDOVLMQDKJM-BXPWTJTASA-N. The full InChI is InChI=1S/C8H12BNO/c1-3-10-8(7-11)5-4-6-9-2/h4-5,7H,2-3,6H2,1H3/b5-4-,10-8-.
What are the key properties of (Z)-2-ethylimino-5-methylideneboranylpent-3-enal?
(Z)-2-ethylimino-5-methylideneboranylpent-3-enal has a molecular weight of 149.00 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylimino-5-methylideneboranylpent-3-enal is sourced from PubChem (CID 174022225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).