[(E)-hexan-2-ylideneamino]urea

C7H15N3O — CID 5385760

IUPAC[(E)-hexan-2-ylideneamino]urea
SMILESCCCC/C(C)=N/NC(N)=O
InChIInChI=1S/C7H15N3O/c1-3-4-5-6(2)9-10-7(8)11/h3-5H2,1-2H3,(H3,8,10,11)/b9-6+
InChIKeyHWOZJMWUVWDNOO-RMKNXTFCSA-N
MW157.22 g/mol
LogP1.22
Rot. Bonds4

About [(E)-hexan-2-ylideneamino]urea

[(E)-hexan-2-ylideneamino]urea (PubChem CID 5385760) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is [(E)-hexan-2-ylideneamino]urea.

Molecular Properties

Compound Name[(E)-hexan-2-ylideneamino]urea
PubChem CID5385760
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name[(E)-hexan-2-ylideneamino]urea
SMILESCCCC/C(C)=N/NC(N)=O
InChIInChI=1S/C7H15N3O/c1-3-4-5-6(2)9-10-7(8)11/h3-5H2,1-2H3,(H3,8,10,11)/b9-6+
InChIKeyHWOZJMWUVWDNOO-RMKNXTFCSA-N
XLogP1.22
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.22
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 [(E)-hexan-2-ylideneamino]urea?
The IUPAC name of [(E)-hexan-2-ylideneamino]urea (CID 5385760) is [(E)-hexan-2-ylideneamino]urea.
What is the SMILES notation for [(E)-hexan-2-ylideneamino]urea?
The canonical SMILES for [(E)-hexan-2-ylideneamino]urea is CCCC/C(C)=N/NC(N)=O.
What is the InChIKey of [(E)-hexan-2-ylideneamino]urea?
The InChIKey is HWOZJMWUVWDNOO-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-4-5-6(2)9-10-7(8)11/h3-5H2,1-2H3,(H3,8,10,11)/b9-6+.
What are the key properties of [(E)-hexan-2-ylideneamino]urea?
[(E)-hexan-2-ylideneamino]urea has a molecular weight of 157.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hexan-2-ylideneamino]urea is sourced from PubChem (CID 5385760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).