(Z)-3-(benzylideneamino)pent-3-ene-1,4-diol

C12H15NO2 — CID 142216290

IUPAC(Z)-3-(benzylideneamino)pent-3-ene-1,4-diol
SMILESC/C(O)=C(CCO)/N=C/c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(15)12(7-8-14)13-9-11-5-3-2-4-6-11/h2-6,9,14-15H,7-8H2,1H3/b12-10-,13-9+
InChIKeyWKRRUHAWUZKPQG-NBGAZXPKSA-N
MW205.26 g/mol
LogP2.28
Rot. Bonds4

About (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol

(Z)-3-(benzylideneamino)pent-3-ene-1,4-diol (PubChem CID 142216290) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol.

Molecular Properties

Compound Name(Z)-3-(benzylideneamino)pent-3-ene-1,4-diol
PubChem CID142216290
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-3-(benzylideneamino)pent-3-ene-1,4-diol
SMILESC/C(O)=C(CCO)/N=C/c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(15)12(7-8-14)13-9-11-5-3-2-4-6-11/h2-6,9,14-15H,7-8H2,1H3/b12-10-,13-9+
InChIKeyWKRRUHAWUZKPQG-NBGAZXPKSA-N
XLogP2.28
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.28
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'}

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Related Compounds

ethyl 2-[4-[(Z)-3-(benzylideneamino)-4-hydroxypent-3-enoxy]phenoxy]-2-methylpropanoate
CID 142118363
(E)-N-[(E)-1-chloroprop-1-enyl]-1-phenylmethanimine
CID 134921420
3-(benzylideneamino)butan-1-ol
CID 101452219
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
CID 175448034
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
ethane;N-methyl-1-phenylmethanimine
CID 90887000
(Z)-3-methoxy-4-phenylbut-3-en-1-ol
CID 134985756
(2E)-2-benzylidenebutane-1,4-diol
CID 14715251
(2S)-2-amino-N-benzylidene-4-methylsulfanylbutanamide
CID 57028393
(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
1-(benzylideneamino)ethanol
CID 66697160

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol?
The IUPAC name of (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol (CID 142216290) is (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol.
What is the SMILES notation for (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol?
The canonical SMILES for (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol is C/C(O)=C(CCO)/N=C/c1ccccc1.
What is the InChIKey of (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol?
The InChIKey is WKRRUHAWUZKPQG-NBGAZXPKSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(15)12(7-8-14)13-9-11-5-3-2-4-6-11/h2-6,9,14-15H,7-8H2,1H3/b12-10-,13-9+.
What are the key properties of (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol?
(Z)-3-(benzylideneamino)pent-3-ene-1,4-diol has a molecular weight of 205.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(benzylideneamino)pent-3-ene-1,4-diol is sourced from PubChem (CID 142216290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).