3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol

C11H15NO — CID 166486549

IUPAC3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol
SMILESC/C=N/C=C(/C)C1=CCCC(O)=C1
InChIInChI=1S/C11H15NO/c1-3-12-8-9(2)10-5-4-6-11(13)7-10/h3,5,7-8,13H,4,6H2,1-2H3/b9-8-,12-3+
InChIKeyXIADDQQBLLGIQE-MIFLFFNBSA-N
MW177.25 g/mol
LogP3.14
Rot. Bonds2

About 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol

3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol (PubChem CID 166486549) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol
PubChem CID166486549
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol
SMILESC/C=N/C=C(/C)C1=CCCC(O)=C1
InChIInChI=1S/C11H15NO/c1-3-12-8-9(2)10-5-4-6-11(13)7-10/h3,5,7-8,13H,4,6H2,1-2H3/b9-8-,12-3+
InChIKeyXIADDQQBLLGIQE-MIFLFFNBSA-N
XLogP3.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol (CID 166486549) is 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol is C/C=N/C=C(/C)C1=CCCC(O)=C1.
What is the InChIKey of 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol?
The InChIKey is XIADDQQBLLGIQE-MIFLFFNBSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-12-8-9(2)10-5-4-6-11(13)7-10/h3,5,7-8,13H,4,6H2,1-2H3/b9-8-,12-3+.
What are the key properties of 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol?
3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol has a molecular weight of 177.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 166486549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).