[(Z)-heptan-3-ylideneamino]urea

C8H17N3O — CID 6014846

IUPAC[(Z)-heptan-3-ylideneamino]urea
SMILESCCCC/C(CC)=N\NC(N)=O
InChIInChI=1S/C8H17N3O/c1-3-5-6-7(4-2)10-11-8(9)12/h3-6H2,1-2H3,(H3,9,11,12)/b10-7-
InChIKeyLDLQFBPKVPUDDY-YFHOEESVSA-N
MW171.24 g/mol
LogP1.61
Rot. Bonds5

About [(Z)-heptan-3-ylideneamino]urea

[(Z)-heptan-3-ylideneamino]urea (PubChem CID 6014846) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is [(Z)-heptan-3-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-heptan-3-ylideneamino]urea
PubChem CID6014846
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name[(Z)-heptan-3-ylideneamino]urea
SMILESCCCC/C(CC)=N\NC(N)=O
InChIInChI=1S/C8H17N3O/c1-3-5-6-7(4-2)10-11-8(9)12/h3-6H2,1-2H3,(H3,9,11,12)/b10-7-
InChIKeyLDLQFBPKVPUDDY-YFHOEESVSA-N
XLogP1.61
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.61
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)-heptan-3-ylideneamino]urea?
The IUPAC name of [(Z)-heptan-3-ylideneamino]urea (CID 6014846) is [(Z)-heptan-3-ylideneamino]urea.
What is the SMILES notation for [(Z)-heptan-3-ylideneamino]urea?
The canonical SMILES for [(Z)-heptan-3-ylideneamino]urea is CCCC/C(CC)=N\NC(N)=O.
What is the InChIKey of [(Z)-heptan-3-ylideneamino]urea?
The InChIKey is LDLQFBPKVPUDDY-YFHOEESVSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-5-6-7(4-2)10-11-8(9)12/h3-6H2,1-2H3,(H3,9,11,12)/b10-7-.
What are the key properties of [(Z)-heptan-3-ylideneamino]urea?
[(Z)-heptan-3-ylideneamino]urea has a molecular weight of 171.24 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-heptan-3-ylideneamino]urea is sourced from PubChem (CID 6014846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).