(3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol

C11H16N2O — CID 134228937

IUPAC(3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(C)/N=C/C(/C=C\C)=C/N
InChIInChI=1S/C11H16N2O/c1-4-5-11(7-12)8-13-9(2)6-10(3)14/h4-8,14H,3,12H2,1-2H3/b5-4-,9-6+,11-7+,13-8+
InChIKeyVNWPOTNIKCOWFO-JIBRSYTGSA-N
MW192.26 g/mol
LogP2.45
Rot. Bonds4

About (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol

(3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol (PubChem CID 134228937) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol
PubChem CID134228937
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(C)/N=C/C(/C=C\C)=C/N
InChIInChI=1S/C11H16N2O/c1-4-5-11(7-12)8-13-9(2)6-10(3)14/h4-8,14H,3,12H2,1-2H3/b5-4-,9-6+,11-7+,13-8+
InChIKeyVNWPOTNIKCOWFO-JIBRSYTGSA-N
XLogP2.45
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol?
The IUPAC name of (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol (CID 134228937) is (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol.
What is the SMILES notation for (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol?
The canonical SMILES for (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol is C=C(O)/C=C(C)/N=C/C(/C=C\C)=C/N.
What is the InChIKey of (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol?
The InChIKey is VNWPOTNIKCOWFO-JIBRSYTGSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-5-11(7-12)8-13-9(2)6-10(3)14/h4-8,14H,3,12H2,1-2H3/b5-4-,9-6+,11-7+,13-8+.
What are the key properties of (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol?
(3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol has a molecular weight of 192.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-[[(Z,2E)-2-(aminomethylidene)pent-3-enylidene]amino]penta-1,3-dien-2-ol is sourced from PubChem (CID 134228937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).