[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea

C12H15N3O2 — CID 2807504

IUPAC[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
SMILESCOc1ccc2c(c1)CCCC2=NNC(N)=O
InChIInChI=1S/C12H15N3O2/c1-17-9-5-6-10-8(7-9)3-2-4-11(10)14-15-12(13)16/h5-7H,2-4H2,1H3,(H3,13,15,16)
InChIKeyGRXIUDITOYZBLN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.40
Rot. Bonds2

About [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea

[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea (PubChem CID 2807504) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea.

Molecular Properties

Compound Name[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
PubChem CID2807504
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
SMILESCOc1ccc2c(c1)CCCC2=NNC(N)=O
InChIInChI=1S/C12H15N3O2/c1-17-9-5-6-10-8(7-9)3-2-4-11(10)14-15-12(13)16/h5-7H,2-4H2,1H3,(H3,13,15,16)
InChIKeyGRXIUDITOYZBLN-UHFFFAOYSA-N
XLogP1.40
TPSA76.71 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 ≤ 51.40
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

1-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-propan-2-ylthiourea
CID 8978994
[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
CID 71602930
N-[(Z)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883708
4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
CID 9121006
N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylaniline
CID 6076381
[(E)-[(4R)-6-methoxy-4-methyl-4-phenyl-2,3-dihydronaphthalen-1-ylidene]amino]urea
CID 92856454
ethyl 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylate
CID 2807544
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide
CID 43879777
ethyl 2-[2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazol-5-yl]acetate
CID 2807524
N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-nitroaniline
CID 9059234
3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide
CID 3893125
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112

Frequently Asked Questions

What is the IUPAC name of [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
The IUPAC name of [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea (CID 2807504) is [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea.
What is the SMILES notation for [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
The canonical SMILES for [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea is COc1ccc2c(c1)CCCC2=NNC(N)=O.
What is the InChIKey of [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
The InChIKey is GRXIUDITOYZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-9-5-6-10-8(7-9)3-2-4-11(10)14-15-12(13)16/h5-7H,2-4H2,1H3,(H3,13,15,16).
What are the key properties of [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea?
[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea has a molecular weight of 233.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea is sourced from PubChem (CID 2807504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).