(Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine

C13H14N2O — CID 177411939

IUPAC(Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine
SMILESC(#Cc1ccccc1)/C=N\N1CCOCC1
InChIInChI=1S/C13H14N2O/c1-2-5-13(6-3-1)7-4-8-14-15-9-11-16-12-10-15/h1-3,5-6,8H,9-12H2/b14-8-
InChIKeyPBQYFVPIAZSLNQ-ZSOIEALJSA-N
MW214.27 g/mol
LogP1.36
Rot. Bonds1

About (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine

(Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine (PubChem CID 177411939) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine.

Molecular Properties

Compound Name(Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine
PubChem CID177411939
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine
SMILESC(#Cc1ccccc1)/C=N\N1CCOCC1
InChIInChI=1S/C13H14N2O/c1-2-5-13(6-3-1)7-4-8-14-15-9-11-16-12-10-15/h1-3,5-6,8H,9-12H2/b14-8-
InChIKeyPBQYFVPIAZSLNQ-ZSOIEALJSA-N
XLogP1.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-morpholin-4-yl-2-phenylethanimine
CID 137320841
4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
CID 623968
13-(5-phenylpenta-2,4-diynyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102019988
4-[1-methyl-4-(2-phenylethynyl)piperidin-4-yl]morpholine
CID 23762855
(E)-1-anthracen-9-yl-N-morpholin-4-ylmethanimine
CID 6898960
2-phenylethynylbenzene;hydrofluoride
CID 158259923
4-[(Z)-2-methylsulfanyl-1,5-diphenylpent-1-en-4-yn-3-yl]morpholine
CID 102573673
4-[1-(2-phenylethynyl)cycloheptyl]morpholine
CID 3501572
4-(1-phenylhept-1-yn-3-yl)morpholine
CID 101430696
(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 8973426
trimethyl-[(Z)-4-phenylbut-1-en-3-ynyl]silane
CID 101156945
3-phenyl-N-(1-phenylethyl)prop-2-yn-1-imine
CID 11736454

Frequently Asked Questions

What is the IUPAC name of (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine?
The IUPAC name of (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine (CID 177411939) is (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine.
What is the SMILES notation for (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine?
The canonical SMILES for (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine is C(#Cc1ccccc1)/C=N\N1CCOCC1.
What is the InChIKey of (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine?
The InChIKey is PBQYFVPIAZSLNQ-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-5-13(6-3-1)7-4-8-14-15-9-11-16-12-10-15/h1-3,5-6,8H,9-12H2/b14-8-.
What are the key properties of (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine?
(Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine has a molecular weight of 214.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-morpholin-4-yl-3-phenylprop-2-yn-1-imine is sourced from PubChem (CID 177411939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).