[(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea

C14H15N3O — CID 5385660

IUPAC[(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea
SMILESC/C(Cc1cccc2ccccc12)=N/NC(N)=O
InChIInChI=1S/C14H15N3O/c1-10(16-17-14(15)18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H3,15,17,18)/b16-10-
InChIKeyFTCXFIYHROOREY-YBEGLDIGSA-N
MW241.29 g/mol
LogP2.43
Rot. Bonds3

About [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea

[(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea (PubChem CID 5385660) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea
PubChem CID5385660
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name[(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea
SMILESC/C(Cc1cccc2ccccc12)=N/NC(N)=O
InChIInChI=1S/C14H15N3O/c1-10(16-17-14(15)18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H3,15,17,18)/b16-10-
InChIKeyFTCXFIYHROOREY-YBEGLDIGSA-N
XLogP2.43
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.43
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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea?
The IUPAC name of [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea (CID 5385660) is [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea.
What is the SMILES notation for [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea?
The canonical SMILES for [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea is C/C(Cc1cccc2ccccc12)=N/NC(N)=O.
What is the InChIKey of [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea?
The InChIKey is FTCXFIYHROOREY-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(16-17-14(15)18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H3,15,17,18)/b16-10-.
What are the key properties of [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea?
[(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea has a molecular weight of 241.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea is sourced from PubChem (CID 5385660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).