[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea

C12H15N3O — CID 6253555

IUPAC[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
SMILESCc1cccc2c1CCC/C2=N\NC(N)=O
InChIInChI=1S/C12H15N3O/c1-8-4-2-6-10-9(8)5-3-7-11(10)14-15-12(13)16/h2,4,6H,3,5,7H2,1H3,(H3,13,15,16)/b14-11+
InChIKeyQXCBOMAPXBEFAM-SDNWHVSQSA-N
MW217.27 g/mol
LogP1.70
Rot. Bonds1

About [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea

[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea (PubChem CID 6253555) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
PubChem CID6253555
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
SMILESCc1cccc2c1CCC/C2=N\NC(N)=O
InChIInChI=1S/C12H15N3O/c1-8-4-2-6-10-9(8)5-3-7-11(10)14-15-12(13)16/h2,4,6H,3,5,7H2,1H3,(H3,13,15,16)/b14-11+
InChIKeyQXCBOMAPXBEFAM-SDNWHVSQSA-N
XLogP1.70
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.70
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

[(E)-(5-hydroxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602932
(6,7-dihydro-5H-1-benzothiophen-4-ylideneamino)urea
CID 77022594
[(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 10587626
[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 2807504
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide
CID 3096488
3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 877454
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 4838886
2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10017745
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea
CID 6523658
N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 129395280
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxy-2-phenylacetamide
CID 2851357

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
The IUPAC name of [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea (CID 6253555) is [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea.
What is the SMILES notation for [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
The canonical SMILES for [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea is Cc1cccc2c1CCC/C2=N\NC(N)=O.
What is the InChIKey of [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
The InChIKey is QXCBOMAPXBEFAM-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-4-2-6-10-9(8)5-3-7-11(10)14-15-12(13)16/h2,4,6H,3,5,7H2,1H3,(H3,13,15,16)/b14-11+.
What are the key properties of [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea has a molecular weight of 217.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea is sourced from PubChem (CID 6253555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).