(Z)-6-(pent-4-en-2-ylamino)hex-3-enal

C11H19NO — CID 90835286

IUPAC(Z)-6-(pent-4-en-2-ylamino)hex-3-enal
SMILESC=CCC(C)NCC/C=C\CC=O
InChIInChI=1S/C11H19NO/c1-3-8-11(2)12-9-6-4-5-7-10-13/h3-5,10-12H,1,6-9H2,2H3/b5-4-
InChIKeyYARVBGRQFQVQFB-PLNGDYQASA-N
MW181.28 g/mol
LogP2.08
Rot. Bonds8

About (Z)-6-(pent-4-en-2-ylamino)hex-3-enal

(Z)-6-(pent-4-en-2-ylamino)hex-3-enal (PubChem CID 90835286) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-6-(pent-4-en-2-ylamino)hex-3-enal.

Molecular Properties

Compound Name(Z)-6-(pent-4-en-2-ylamino)hex-3-enal
PubChem CID90835286
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z)-6-(pent-4-en-2-ylamino)hex-3-enal
SMILESC=CCC(C)NCC/C=C\CC=O
InChIInChI=1S/C11H19NO/c1-3-8-11(2)12-9-6-4-5-7-10-13/h3-5,10-12H,1,6-9H2,2H3/b5-4-
InChIKeyYARVBGRQFQVQFB-PLNGDYQASA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.08
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-(pent-4-en-2-ylamino)hex-3-enal?
The IUPAC name of (Z)-6-(pent-4-en-2-ylamino)hex-3-enal (CID 90835286) is (Z)-6-(pent-4-en-2-ylamino)hex-3-enal.
What is the SMILES notation for (Z)-6-(pent-4-en-2-ylamino)hex-3-enal?
The canonical SMILES for (Z)-6-(pent-4-en-2-ylamino)hex-3-enal is C=CCC(C)NCC/C=C\CC=O.
What is the InChIKey of (Z)-6-(pent-4-en-2-ylamino)hex-3-enal?
The InChIKey is YARVBGRQFQVQFB-PLNGDYQASA-N. The full InChI is InChI=1S/C11H19NO/c1-3-8-11(2)12-9-6-4-5-7-10-13/h3-5,10-12H,1,6-9H2,2H3/b5-4-.
What are the key properties of (Z)-6-(pent-4-en-2-ylamino)hex-3-enal?
(Z)-6-(pent-4-en-2-ylamino)hex-3-enal has a molecular weight of 181.28 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(pent-4-en-2-ylamino)hex-3-enal is sourced from PubChem (CID 90835286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).