1-[(E)-cinnamylideneamino]-3-methylurea

C11H13N3O — CID 167350066

IUPAC1-[(E)-cinnamylideneamino]-3-methylurea
SMILESCNC(=O)N/N=C/C=Cc1ccccc1
InChIInChI=1S/C11H13N3O/c1-12-11(15)14-13-9-5-8-10-6-3-2-4-7-10/h2-9H,1H3,(H2,12,14,15)/b8-5?,13-9+
InChIKeyUCEQMFGKWCKMGO-WMHQSUSYSA-N
MW203.24 g/mol
LogP1.61
Rot. Bonds3

About 1-[(E)-cinnamylideneamino]-3-methylurea

1-[(E)-cinnamylideneamino]-3-methylurea (PubChem CID 167350066) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[(E)-cinnamylideneamino]-3-methylurea.

Molecular Properties

Compound Name1-[(E)-cinnamylideneamino]-3-methylurea
PubChem CID167350066
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-[(E)-cinnamylideneamino]-3-methylurea
SMILESCNC(=O)N/N=C/C=Cc1ccccc1
InChIInChI=1S/C11H13N3O/c1-12-11(15)14-13-9-5-8-10-6-3-2-4-7-10/h2-9H,1H3,(H2,12,14,15)/b8-5?,13-9+
InChIKeyUCEQMFGKWCKMGO-WMHQSUSYSA-N
XLogP1.61
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(cinnamylideneamino)urea
CID 2823909
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533
N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683
trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
CID 87145992
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 44665707
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 92529742
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-cinnamylideneamino]-3-methylurea?
The IUPAC name of 1-[(E)-cinnamylideneamino]-3-methylurea (CID 167350066) is 1-[(E)-cinnamylideneamino]-3-methylurea.
What is the SMILES notation for 1-[(E)-cinnamylideneamino]-3-methylurea?
The canonical SMILES for 1-[(E)-cinnamylideneamino]-3-methylurea is CNC(=O)N/N=C/C=Cc1ccccc1.
What is the InChIKey of 1-[(E)-cinnamylideneamino]-3-methylurea?
The InChIKey is UCEQMFGKWCKMGO-WMHQSUSYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-12-11(15)14-13-9-5-8-10-6-3-2-4-7-10/h2-9H,1H3,(H2,12,14,15)/b8-5?,13-9+.
What are the key properties of 1-[(E)-cinnamylideneamino]-3-methylurea?
1-[(E)-cinnamylideneamino]-3-methylurea has a molecular weight of 203.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-cinnamylideneamino]-3-methylurea is sourced from PubChem (CID 167350066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).