[(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea

C14H19N3O3 — CID 56982175

IUPAC[(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea
SMILESCOc1ccc2c(c1C)OC(C)(C)CC2=NNC(N)=O
InChIInChI=1S/C14H19N3O3/c1-8-11(19-4)6-5-9-10(16-17-13(15)18)7-14(2,3)20-12(8)9/h5-6H,7H2,1-4H3,(H3,15,17,18)
InChIKeyHLWYHEXMMVZEKU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.94
Rot. Bonds2

About [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea

[(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea (PubChem CID 56982175) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea.

Molecular Properties

Compound Name[(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea
PubChem CID56982175
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea
SMILESCOc1ccc2c(c1C)OC(C)(C)CC2=NNC(N)=O
InChIInChI=1S/C14H19N3O3/c1-8-11(19-4)6-5-9-10(16-17-13(15)18)7-14(2,3)20-12(8)9/h5-6H,7H2,1-4H3,(H3,15,17,18)
InChIKeyHLWYHEXMMVZEKU-UHFFFAOYSA-N
XLogP1.94
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea?
The IUPAC name of [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea (CID 56982175) is [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea.
What is the SMILES notation for [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea?
The canonical SMILES for [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea is COc1ccc2c(c1C)OC(C)(C)CC2=NNC(N)=O.
What is the InChIKey of [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea?
The InChIKey is HLWYHEXMMVZEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-11(19-4)6-5-9-10(16-17-13(15)18)7-14(2,3)20-12(8)9/h5-6H,7H2,1-4H3,(H3,15,17,18).
What are the key properties of [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea?
[(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea has a molecular weight of 277.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea is sourced from PubChem (CID 56982175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).