[6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea

C15H14N2O — CID 69170417

IUPAC[6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea
SMILESNC(=O)N=C1C=CC=CC1C=Cc1ccccc1
InChIInChI=1S/C15H14N2O/c16-15(18)17-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,13H,(H2,16,18)
InChIKeyPVXBGRMMYUWKAP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.96
Rot. Bonds2

About [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea

[6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea (PubChem CID 69170417) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea.

Molecular Properties

Compound Name[6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea
PubChem CID69170417
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name[6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea
SMILESNC(=O)N=C1C=CC=CC1C=Cc1ccccc1
InChIInChI=1S/C15H14N2O/c16-15(18)17-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,13H,(H2,16,18)
InChIKeyPVXBGRMMYUWKAP-UHFFFAOYSA-N
XLogP2.96
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
CID 140968860
N-(3-bromopropyl)-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
CID 69399629
N-(3-chloropropyl)-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
CID 70264914
carbonic acid;2-phenylethenamine
CID 173134813
1-(2-phenylethenyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 154106781
acetic acid;stilbene
CID 172803728
(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide
CID 141243424
1-(6-benzylidenecyclohexa-2,4-dien-1-yl)-3-phenylprop-2-en-1-one;palladium
CID 175249285
[6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]diazene
CID 59865693
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
CID 174984741

Frequently Asked Questions

What is the IUPAC name of [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea?
The IUPAC name of [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea (CID 69170417) is [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea.
What is the SMILES notation for [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea?
The canonical SMILES for [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea is NC(=O)N=C1C=CC=CC1C=Cc1ccccc1.
What is the InChIKey of [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea?
The InChIKey is PVXBGRMMYUWKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-15(18)17-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,13H,(H2,16,18).
What are the key properties of [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea?
[6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea has a molecular weight of 238.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-phenylethenyl)cyclohexa-2,4-dien-1-ylidene]urea is sourced from PubChem (CID 69170417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).