(ethylideneamino) 3-phenylprop-2-enimidate

C11H12N2O — CID 123284160

IUPAC(ethylideneamino) 3-phenylprop-2-enimidate
SMILES[H]/N=C(/C=Cc1ccccc1)ON=CC
InChIInChI=1S/C11H12N2O/c1-2-13-14-11(12)9-8-10-6-4-3-5-7-10/h2-9,12H,1H3/b9-8?,12-11-,13-2?
InChIKeyYAKXPWSLOZSHEN-WHQSOXBXSA-N
MW188.23 g/mol
LogP2.70
Rot. Bonds3

About (ethylideneamino) 3-phenylprop-2-enimidate

(ethylideneamino) 3-phenylprop-2-enimidate (PubChem CID 123284160) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (ethylideneamino) 3-phenylprop-2-enimidate.

Molecular Properties

Compound Name(ethylideneamino) 3-phenylprop-2-enimidate
PubChem CID123284160
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(ethylideneamino) 3-phenylprop-2-enimidate
SMILES[H]/N=C(/C=Cc1ccccc1)ON=CC
InChIInChI=1S/C11H12N2O/c1-2-13-14-11(12)9-8-10-6-4-3-5-7-10/h2-9,12H,1H3/b9-8?,12-11-,13-2?
InChIKeyYAKXPWSLOZSHEN-WHQSOXBXSA-N
XLogP2.70
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-imino-4-phenylbut-3-enoate
CID 91293785
potassium;hydride;4-imino-2,2-dimethyl-3-oxo-6-phenylhex-5-enoic acid
CID 174550912
prop-1-enylbenzene;thiourea
CID 172856640
[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
CID 143617374
[(E)-ethylideneamino] benzoate
CID 59571787
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
[4-(3-amino-3-iminoprop-1-enyl)phenyl] 3-phenylprop-2-enoate
CID 54323946
2-(aminomethyl)phenol;(E)-N'-[(2-hydroxyphenyl)methyl]-3-phenylprop-2-enimidamide;methyl (E)-3-phenylprop-2-enimidate;(E)-3-phenylprop-2-enenitrile
CID 159896959
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836

Frequently Asked Questions

What is the IUPAC name of (ethylideneamino) 3-phenylprop-2-enimidate?
The IUPAC name of (ethylideneamino) 3-phenylprop-2-enimidate (CID 123284160) is (ethylideneamino) 3-phenylprop-2-enimidate.
What is the SMILES notation for (ethylideneamino) 3-phenylprop-2-enimidate?
The canonical SMILES for (ethylideneamino) 3-phenylprop-2-enimidate is [H]/N=C(/C=Cc1ccccc1)ON=CC.
What is the InChIKey of (ethylideneamino) 3-phenylprop-2-enimidate?
The InChIKey is YAKXPWSLOZSHEN-WHQSOXBXSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-13-14-11(12)9-8-10-6-4-3-5-7-10/h2-9,12H,1H3/b9-8?,12-11-,13-2?.
What are the key properties of (ethylideneamino) 3-phenylprop-2-enimidate?
(ethylideneamino) 3-phenylprop-2-enimidate has a molecular weight of 188.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylideneamino) 3-phenylprop-2-enimidate is sourced from PubChem (CID 123284160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).