(Z)-2-aminooct-4-enal

C8H15NO — CID 166965204

IUPAC(Z)-2-aminooct-4-enal
SMILESCCC/C=C\CC(N)C=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-8(9)7-10/h4-5,7-8H,2-3,6,9H2,1H3/b5-4-
InChIKeyHDOVPORGFUBGQL-PLNGDYQASA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds5

About (Z)-2-aminooct-4-enal

(Z)-2-aminooct-4-enal (PubChem CID 166965204) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-2-aminooct-4-enal.

Molecular Properties

Compound Name(Z)-2-aminooct-4-enal
PubChem CID166965204
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-2-aminooct-4-enal
SMILESCCC/C=C\CC(N)C=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-8(9)7-10/h4-5,7-8H,2-3,6,9H2,1H3/b5-4-
InChIKeyHDOVPORGFUBGQL-PLNGDYQASA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,8E)-2-aminoundeca-4,8-dienal
CID 88787367
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
2-bromooct-4-ene
CID 142101254
2-aminooct-4-enyl dihydrogen phosphate
CID 123623824
(E,2S)-2-methylhept-3-enal
CID 124565519
(E,2S,3R)-3-methylnon-5-en-2-ol
CID 122413916
2-aminooctanal
CID 54076326
3-methylnon-5-en-2-ol
CID 91526423
(5Z)-3-methylnona-1,5-diene
CID 145064168
3-methylundec-7-enal
CID 54135562

Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminooct-4-enal?
The IUPAC name of (Z)-2-aminooct-4-enal (CID 166965204) is (Z)-2-aminooct-4-enal.
What is the SMILES notation for (Z)-2-aminooct-4-enal?
The canonical SMILES for (Z)-2-aminooct-4-enal is CCC/C=C\CC(N)C=O.
What is the InChIKey of (Z)-2-aminooct-4-enal?
The InChIKey is HDOVPORGFUBGQL-PLNGDYQASA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-5-6-8(9)7-10/h4-5,7-8H,2-3,6,9H2,1H3/b5-4-.
What are the key properties of (Z)-2-aminooct-4-enal?
(Z)-2-aminooct-4-enal has a molecular weight of 141.21 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminooct-4-enal is sourced from PubChem (CID 166965204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).