[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea

C16H13N3O2 — CID 30105868

IUPAC[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C16H13N3O2/c17-16(20)19-18-10-12-8-9-15(21-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H3,17,19,20)/b18-10-
InChIKeyQALZSGKVOSIISZ-ZDLGFXPLSA-N
MW279.30 g/mol
LogP3.10
Rot. Bonds3

About [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea

[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea (PubChem CID 30105868) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
PubChem CID30105868
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc(-c2cccc3ccccc23)o1
InChIInChI=1S/C16H13N3O2/c17-16(20)19-18-10-12-8-9-15(21-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H3,17,19,20)/b18-10-
InChIKeyQALZSGKVOSIISZ-ZDLGFXPLSA-N
XLogP3.10
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.10
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-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
1-[(E)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]-3-phenylthiourea
CID 6870116
[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 126206866
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
(3R,5S)-5-[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]piperidine-3-carboxylic acid
CID 155534173
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 6321807
[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
CID 5396872
2-[5-[(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 1231185
(3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
CID 155543188
methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
CID 71445900

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea (CID 30105868) is [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea is NC(=O)N/N=C\c1ccc(-c2cccc3ccccc23)o1.
What is the InChIKey of [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea?
The InChIKey is QALZSGKVOSIISZ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-16(20)19-18-10-12-8-9-15(21-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H3,17,19,20)/b18-10-.
What are the key properties of [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea?
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea has a molecular weight of 279.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 30105868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).