[(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea

C13H17N3O3 — CID 10587626

IUPAC[(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
SMILESCOc1ccc(OC)c2c1CCC/C2=N\NC(N)=O
InChIInChI=1S/C13H17N3O3/c1-18-10-6-7-11(19-2)12-8(10)4-3-5-9(12)15-16-13(14)17/h6-7H,3-5H2,1-2H3,(H3,14,16,17)/b15-9+
InChIKeyNQHLKQKSAQWPEC-OQLLNIDSSA-N
MW263.30 g/mol
LogP1.41
Rot. Bonds3

About [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea

[(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea (PubChem CID 10587626) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
PubChem CID10587626
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name[(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
SMILESCOc1ccc(OC)c2c1CCC/C2=N\NC(N)=O
InChIInChI=1S/C13H17N3O3/c1-18-10-6-7-11(19-2)12-8(10)4-3-5-9(12)15-16-13(14)17/h6-7H,3-5H2,1-2H3,(H3,14,16,17)/b15-9+
InChIKeyNQHLKQKSAQWPEC-OQLLNIDSSA-N
XLogP1.41
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 6253555
[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 2807504
acetic acid;2-[(4,7-dimethoxy-2,3-dihydroinden-1-ylidene)amino]guanidine
CID 70620131
2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10427786
(6,7-dihydro-5H-1-benzothiophen-4-ylideneamino)urea
CID 77022594
[(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea
CID 56982175
amino-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]methanethiol
CID 163502816
N-[(E)-6,7-dihydro-5H-1-benzothiophen-4-ylideneamino]-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 172951664
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
(4E)-N-(2-methoxyphenyl)-3-methyl-4-[(4-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155310
3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
CID 6027685
2-(4-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)benzoic acid
CID 86021263

Frequently Asked Questions

What is the IUPAC name of [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
The IUPAC name of [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea (CID 10587626) is [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea.
What is the SMILES notation for [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
The canonical SMILES for [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea is COc1ccc(OC)c2c1CCC/C2=N\NC(N)=O.
What is the InChIKey of [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
The InChIKey is NQHLKQKSAQWPEC-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-10-6-7-11(19-2)12-8(10)4-3-5-9(12)15-16-13(14)17/h6-7H,3-5H2,1-2H3,(H3,14,16,17)/b15-9+.
What are the key properties of [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
[(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea has a molecular weight of 263.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea is sourced from PubChem (CID 10587626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).