[(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea

C11H19N3O — CID 5358799

IUPAC[(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea
SMILESNC(=O)N/N=C1/CCC2CCCCC2C1
InChIInChI=1S/C11H19N3O/c12-11(15)14-13-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2,(H3,12,14,15)/b13-10-
InChIKeyLOMDAMPEVIEBTM-RAXLEYEMSA-N
MW209.29 g/mol
LogP2.00
Rot. Bonds1

About [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea

[(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea (PubChem CID 5358799) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea
PubChem CID5358799
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea
SMILESNC(=O)N/N=C1/CCC2CCCCC2C1
InChIInChI=1S/C11H19N3O/c12-11(15)14-13-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2,(H3,12,14,15)/b13-10-
InChIKeyLOMDAMPEVIEBTM-RAXLEYEMSA-N
XLogP2.00
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea?
The IUPAC name of [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea (CID 5358799) is [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea.
What is the SMILES notation for [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea?
The canonical SMILES for [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea is NC(=O)N/N=C1/CCC2CCCCC2C1.
What is the InChIKey of [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea?
The InChIKey is LOMDAMPEVIEBTM-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H19N3O/c12-11(15)14-13-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2,(H3,12,14,15)/b13-10-.
What are the key properties of [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea?
[(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea has a molecular weight of 209.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylideneamino]urea is sourced from PubChem (CID 5358799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).