(2E)-2-(dimethylaminomethylidene)pentanal

C8H15NO — CID 11665426

IUPAC(2E)-2-(dimethylaminomethylidene)pentanal
SMILESCCC/C(C=O)=C\N(C)C
InChIInChI=1S/C8H15NO/c1-4-5-8(7-10)6-9(2)3/h6-7H,4-5H2,1-3H3/b8-6+
InChIKeyFCGSKXFVOYPISO-SOFGYWHQSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds4

About (2E)-2-(dimethylaminomethylidene)pentanal

(2E)-2-(dimethylaminomethylidene)pentanal (PubChem CID 11665426) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E)-2-(dimethylaminomethylidene)pentanal.

Molecular Properties

Compound Name(2E)-2-(dimethylaminomethylidene)pentanal
PubChem CID11665426
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E)-2-(dimethylaminomethylidene)pentanal
SMILESCCC/C(C=O)=C\N(C)C
InChIInChI=1S/C8H15NO/c1-4-5-8(7-10)6-9(2)3/h6-7H,4-5H2,1-3H3/b8-6+
InChIKeyFCGSKXFVOYPISO-SOFGYWHQSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(dimethylaminomethylidene)pentanal?
The IUPAC name of (2E)-2-(dimethylaminomethylidene)pentanal (CID 11665426) is (2E)-2-(dimethylaminomethylidene)pentanal.
What is the SMILES notation for (2E)-2-(dimethylaminomethylidene)pentanal?
The canonical SMILES for (2E)-2-(dimethylaminomethylidene)pentanal is CCC/C(C=O)=C\N(C)C.
What is the InChIKey of (2E)-2-(dimethylaminomethylidene)pentanal?
The InChIKey is FCGSKXFVOYPISO-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(7-10)6-9(2)3/h6-7H,4-5H2,1-3H3/b8-6+.
What are the key properties of (2E)-2-(dimethylaminomethylidene)pentanal?
(2E)-2-(dimethylaminomethylidene)pentanal has a molecular weight of 141.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylaminomethylidene)pentanal is sourced from PubChem (CID 11665426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).