[(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea

C12H15N3O2 — CID 39355292

IUPAC[(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea
SMILESCC1=C/C(=N/NC(N)=O)C[C@@H](c2ccco2)C1
InChIInChI=1S/C12H15N3O2/c1-8-5-9(11-3-2-4-17-11)7-10(6-8)14-15-12(13)16/h2-4,6,9H,5,7H2,1H3,(H3,13,15,16)/b14-10-/t9-/m0/s1
InChIKeyFROVHEGMFXAQLW-DCMHDJSWSA-N
MW233.27 g/mol
LogP2.13
Rot. Bonds2

About [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea

[(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea (PubChem CID 39355292) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea
PubChem CID39355292
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea
SMILESCC1=C/C(=N/NC(N)=O)C[C@@H](c2ccco2)C1
InChIInChI=1S/C12H15N3O2/c1-8-5-9(11-3-2-4-17-11)7-10(6-8)14-15-12(13)16/h2-4,6,9H,5,7H2,1H3,(H3,13,15,16)/b14-10-/t9-/m0/s1
InChIKeyFROVHEGMFXAQLW-DCMHDJSWSA-N
XLogP2.13
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(Z)-[5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea
CID 51055853
(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one
CID 30033441
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
[(3,6,6-trimethylcyclohepta-2,4-dien-1-ylidene)amino]urea
CID 162854462
(5S)-3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 951276
methyl (1R,6R)-4-amino-6-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate
CID 51970580
3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 3708096
2-(cyclopropanecarbonyl)-5-(furan-2-yl)cyclohexane-1,3-dione
CID 52950845
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]propanamide
CID 3137931
[(E)-(3-phenylcyclopent-2-en-1-ylidene)amino]urea
CID 121010699
ethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,2,3,3a,5,6,7,7a-octahydroindole-2-carboxylate
CID 170905934

Frequently Asked Questions

What is the IUPAC name of [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea?
The IUPAC name of [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea (CID 39355292) is [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea.
What is the SMILES notation for [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea?
The canonical SMILES for [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea is CC1=C/C(=N/NC(N)=O)C[C@@H](c2ccco2)C1.
What is the InChIKey of [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea?
The InChIKey is FROVHEGMFXAQLW-DCMHDJSWSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-5-9(11-3-2-4-17-11)7-10(6-8)14-15-12(13)16/h2-4,6,9H,5,7H2,1H3,(H3,13,15,16)/b14-10-/t9-/m0/s1.
What are the key properties of [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea?
[(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea has a molecular weight of 233.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(5S)-5-(furan-2-yl)-3-methylcyclohex-2-en-1-ylidene]amino]urea is sourced from PubChem (CID 39355292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).