(3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol

C11H17NO — CID 139572171

IUPAC(3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol
SMILESC=C/C(N/C(C)=C/C)=C(O)\C=C/C
InChIInChI=1S/C11H17NO/c1-5-8-11(13)10(7-3)12-9(4)6-2/h5-8,12-13H,3H2,1-2,4H3/b8-5-,9-6+,11-10-
InChIKeyFNMAILROUIGRSD-FKWPDEHMSA-N
MW179.26 g/mol
LogP3.03
Rot. Bonds4

About (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol

(3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol (PubChem CID 139572171) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol
PubChem CID139572171
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol
SMILESC=C/C(N/C(C)=C/C)=C(O)\C=C/C
InChIInChI=1S/C11H17NO/c1-5-8-11(13)10(7-3)12-9(4)6-2/h5-8,12-13H,3H2,1-2,4H3/b8-5-,9-6+,11-10-
InChIKeyFNMAILROUIGRSD-FKWPDEHMSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol?
The IUPAC name of (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol (CID 139572171) is (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol.
What is the SMILES notation for (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol?
The canonical SMILES for (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol is C=C/C(N/C(C)=C/C)=C(O)\C=C/C.
What is the InChIKey of (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol?
The InChIKey is FNMAILROUIGRSD-FKWPDEHMSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-8-11(13)10(7-3)12-9(4)6-2/h5-8,12-13H,3H2,1-2,4H3/b8-5-,9-6+,11-10-.
What are the key properties of (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol?
(3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol has a molecular weight of 179.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-[[(E)-but-2-en-2-yl]amino]hepta-1,3,5-trien-4-ol is sourced from PubChem (CID 139572171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).