1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea

C8H15N3O2 — CID 54581671

IUPAC1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea
SMILESO=C(NO)N/N=C/C1CCCCC1
InChIInChI=1S/C8H15N3O2/c12-8(11-13)10-9-6-7-4-2-1-3-5-7/h6-7,13H,1-5H2,(H2,10,11,12)/b9-6+
InChIKeyXIZHHROHOFURIH-RMKNXTFCSA-N
MW185.23 g/mol
LogP1.24
Rot. Bonds2

About 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea

1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea (PubChem CID 54581671) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea.

Molecular Properties

Compound Name1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea
PubChem CID54581671
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea
SMILESO=C(NO)N/N=C/C1CCCCC1
InChIInChI=1S/C8H15N3O2/c12-8(11-13)10-9-6-7-4-2-1-3-5-7/h6-7,13H,1-5H2,(H2,10,11,12)/b9-6+
InChIKeyXIZHHROHOFURIH-RMKNXTFCSA-N
XLogP1.24
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 88553627
N-(cyclohexylmethylideneamino)nonanamide
CID 4285441
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532
1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea
CID 3941563
4-bromo-N-(cyclohexylmethylideneamino)-1,3-dimethylpyrazole-5-carboxamide
CID 4773024
N-(cyclohexylmethylideneamino)-4-nitrobenzamide
CID 4625468
2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide
CID 7788343
N-(cyclohexylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 5128114
3-cyclohexyl-N-hydroxyprop-2-enamide
CID 71376620
2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide
CID 57404080
4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
CID 3397487

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea?
The IUPAC name of 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea (CID 54581671) is 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea.
What is the SMILES notation for 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea?
The canonical SMILES for 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea is O=C(NO)N/N=C/C1CCCCC1.
What is the InChIKey of 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea?
The InChIKey is XIZHHROHOFURIH-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15N3O2/c12-8(11-13)10-9-6-7-4-2-1-3-5-7/h6-7,13H,1-5H2,(H2,10,11,12)/b9-6+.
What are the key properties of 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea?
1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea has a molecular weight of 185.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea is sourced from PubChem (CID 54581671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).