[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea

C11H17N3O — CID 3350705

IUPAC[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea
SMILESCC1(C)C2CC=C(C=NNC(N)=O)C1C2
InChIInChI=1S/C11H17N3O/c1-11(2)8-4-3-7(9(11)5-8)6-13-14-10(12)15/h3,6,8-9H,4-5H2,1-2H3,(H3,12,14,15)
InChIKeyHGKFDXYMYDSWIH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.63
Rot. Bonds2

About [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea

[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea (PubChem CID 3350705) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea.

Molecular Properties

Compound Name[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea
PubChem CID3350705
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea
SMILESCC1(C)C2CC=C(C=NNC(N)=O)C1C2
InChIInChI=1S/C11H17N3O/c1-11(2)8-4-3-7(9(11)5-8)6-13-14-10(12)15/h3,6,8-9H,4-5H2,1-2H3,(H3,12,14,15)
InChIKeyHGKFDXYMYDSWIH-UHFFFAOYSA-N
XLogP1.63
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.63
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 [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea?
The IUPAC name of [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea (CID 3350705) is [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea.
What is the SMILES notation for [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea?
The canonical SMILES for [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea is CC1(C)C2CC=C(C=NNC(N)=O)C1C2.
What is the InChIKey of [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea?
The InChIKey is HGKFDXYMYDSWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2)8-4-3-7(9(11)5-8)6-13-14-10(12)15/h3,6,8-9H,4-5H2,1-2H3,(H3,12,14,15).
What are the key properties of [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea?
[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea has a molecular weight of 207.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]urea is sourced from PubChem (CID 3350705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).