(E)-2-methanimidoylnon-2-enal

C10H17NO — CID 178138509

IUPAC(E)-2-methanimidoylnon-2-enal
SMILES[H]/N=C/C(C=O)=C\CCCCCC
InChIInChI=1S/C10H17NO/c1-2-3-4-5-6-7-10(8-11)9-12/h7-9,11H,2-6H2,1H3/b10-7+,11-8+
InChIKeyKRJOXVVGUYCIPU-AMMQDNIMSA-N
MW167.25 g/mol
LogP2.73
Rot. Bonds7

About (E)-2-methanimidoylnon-2-enal

(E)-2-methanimidoylnon-2-enal (PubChem CID 178138509) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-2-methanimidoylnon-2-enal.

Molecular Properties

Compound Name(E)-2-methanimidoylnon-2-enal
PubChem CID178138509
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-2-methanimidoylnon-2-enal
SMILES[H]/N=C/C(C=O)=C\CCCCCC
InChIInChI=1S/C10H17NO/c1-2-3-4-5-6-7-10(8-11)9-12/h7-9,11H,2-6H2,1H3/b10-7+,11-8+
InChIKeyKRJOXVVGUYCIPU-AMMQDNIMSA-N
XLogP2.73
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methanimidoylnon-2-enal?
The IUPAC name of (E)-2-methanimidoylnon-2-enal (CID 178138509) is (E)-2-methanimidoylnon-2-enal.
What is the SMILES notation for (E)-2-methanimidoylnon-2-enal?
The canonical SMILES for (E)-2-methanimidoylnon-2-enal is [H]/N=C/C(C=O)=C\CCCCCC.
What is the InChIKey of (E)-2-methanimidoylnon-2-enal?
The InChIKey is KRJOXVVGUYCIPU-AMMQDNIMSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-6-7-10(8-11)9-12/h7-9,11H,2-6H2,1H3/b10-7+,11-8+.
What are the key properties of (E)-2-methanimidoylnon-2-enal?
(E)-2-methanimidoylnon-2-enal has a molecular weight of 167.25 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methanimidoylnon-2-enal is sourced from PubChem (CID 178138509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).