(Z,2E,5S)-5-amino-2-propylidenehex-3-enal

C9H15NO — CID 166943579

IUPAC(Z,2E,5S)-5-amino-2-propylidenehex-3-enal
SMILESCC/C=C(C=O)\C=C/[C@H](C)N
InChIInChI=1S/C9H15NO/c1-3-4-9(7-11)6-5-8(2)10/h4-8H,3,10H2,1-2H3/b6-5-,9-4+/t8-/m0/s1
InChIKeyURUQCSXYIHJLRI-ZRFLZXPRSA-N
MW153.22 g/mol
LogP1.43
Rot. Bonds4

About (Z,2E,5S)-5-amino-2-propylidenehex-3-enal

(Z,2E,5S)-5-amino-2-propylidenehex-3-enal (PubChem CID 166943579) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z,2E,5S)-5-amino-2-propylidenehex-3-enal.

Molecular Properties

Compound Name(Z,2E,5S)-5-amino-2-propylidenehex-3-enal
PubChem CID166943579
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z,2E,5S)-5-amino-2-propylidenehex-3-enal
SMILESCC/C=C(C=O)\C=C/[C@H](C)N
InChIInChI=1S/C9H15NO/c1-3-4-9(7-11)6-5-8(2)10/h4-8H,3,10H2,1-2H3/b6-5-,9-4+/t8-/m0/s1
InChIKeyURUQCSXYIHJLRI-ZRFLZXPRSA-N
XLogP1.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E,5S)-5-amino-2-propylidenehex-3-enal?
The IUPAC name of (Z,2E,5S)-5-amino-2-propylidenehex-3-enal (CID 166943579) is (Z,2E,5S)-5-amino-2-propylidenehex-3-enal.
What is the SMILES notation for (Z,2E,5S)-5-amino-2-propylidenehex-3-enal?
The canonical SMILES for (Z,2E,5S)-5-amino-2-propylidenehex-3-enal is CC/C=C(C=O)\C=C/[C@H](C)N.
What is the InChIKey of (Z,2E,5S)-5-amino-2-propylidenehex-3-enal?
The InChIKey is URUQCSXYIHJLRI-ZRFLZXPRSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-9(7-11)6-5-8(2)10/h4-8H,3,10H2,1-2H3/b6-5-,9-4+/t8-/m0/s1.
What are the key properties of (Z,2E,5S)-5-amino-2-propylidenehex-3-enal?
(Z,2E,5S)-5-amino-2-propylidenehex-3-enal has a molecular weight of 153.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E,5S)-5-amino-2-propylidenehex-3-enal is sourced from PubChem (CID 166943579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).