(1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol

C7H11NO — CID 142095345

IUPAC(1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol
SMILESC/C=C\C(=C\O)\N=C\C
InChIInChI=1S/C7H11NO/c1-3-5-7(6-9)8-4-2/h3-6,9H,1-2H3/b5-3-,7-6-,8-4+
InChIKeyOZASALWZQOHZQX-QFRJOCIQSA-N
MW125.17 g/mol
LogP2.05
Rot. Bonds2

About (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol

(1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol (PubChem CID 142095345) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol
PubChem CID142095345
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol
SMILESC/C=C\C(=C\O)\N=C\C
InChIInChI=1S/C7H11NO/c1-3-5-7(6-9)8-4-2/h3-6,9H,1-2H3/b5-3-,7-6-,8-4+
InChIKeyOZASALWZQOHZQX-QFRJOCIQSA-N
XLogP2.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol?
The IUPAC name of (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol (CID 142095345) is (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol.
What is the SMILES notation for (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol?
The canonical SMILES for (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol is C/C=C\C(=C\O)\N=C\C.
What is the InChIKey of (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol?
The InChIKey is OZASALWZQOHZQX-QFRJOCIQSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-7(6-9)8-4-2/h3-6,9H,1-2H3/b5-3-,7-6-,8-4+.
What are the key properties of (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol?
(1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol is sourced from PubChem (CID 142095345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).