(1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol

C13H15NO — CID 142213815

IUPAC(1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol
SMILESC=C/C=C\C=C\C=C\C=N\C(C=C)=C/O
InChIInChI=1S/C13H15NO/c1-3-5-6-7-8-9-10-11-14-13(4-2)12-15/h3-12,15H,1-2H2/b6-5-,8-7+,10-9+,13-12-,14-11+
InChIKeyOGFFJNZAGSPWEE-PZOBUWJBSA-N
MW201.27 g/mol
LogP3.50
Rot. Bonds6

About (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol

(1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol (PubChem CID 142213815) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol
PubChem CID142213815
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol
SMILESC=C/C=C\C=C\C=C\C=N\C(C=C)=C/O
InChIInChI=1S/C13H15NO/c1-3-5-6-7-8-9-10-11-14-13(4-2)12-15/h3-12,15H,1-2H2/b6-5-,8-7+,10-9+,13-12-,14-11+
InChIKeyOGFFJNZAGSPWEE-PZOBUWJBSA-N
XLogP3.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.50
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'}

Analyze (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol with MolForge

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Related Compounds

(Z)-pyrrol-2-ylidenemethanolate
CID 19023023
Pyrrol-2-ylidenemethanolate
CID 73509103
(E)-pyrrol-2-ylidenemethanolate
CID 134856700
(E)-pyrrol-1-ium-2-ylidenemethanol
CID 57834907
2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol
CID 89370904
(1Z)-2-(ethylideneamino)-4-methylpenta-1,3-dien-1-ol
CID 142099497
(1Z)-2-(2-hydroxyethylideneamino)-4-methylpenta-1,3-dien-1-ol
CID 142099505
(2Z,4E)-2-[[(Z)-but-2-enylidene]amino]hexa-2,4-dien-1-ol
CID 142163410
3-[(2Z)-penta-2,4-dien-2-yl]iminopropan-1-ol
CID 144217260
(Z)-2-(prop-2-enylideneamino)prop-1-en-1-ol
CID 167216621
CID 132563427
CID 132563427
(1Z,3Z)-2-(ethylideneamino)penta-1,3-dien-1-ol
CID 142095345

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol?
The IUPAC name of (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol (CID 142213815) is (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol.
What is the SMILES notation for (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol?
The canonical SMILES for (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol is C=C/C=C\C=C\C=C\C=N\C(C=C)=C/O.
What is the InChIKey of (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol?
The InChIKey is OGFFJNZAGSPWEE-PZOBUWJBSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-5-6-7-8-9-10-11-14-13(4-2)12-15/h3-12,15H,1-2H2/b6-5-,8-7+,10-9+,13-12-,14-11+.
What are the key properties of (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol?
(1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol has a molecular weight of 201.27 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[[(2E,4E,6Z)-nona-2,4,6,8-tetraenylidene]amino]buta-1,3-dien-1-ol is sourced from PubChem (CID 142213815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).