N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide

C12H17NO — CID 5375227

IUPACN-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide
SMILESC/[N+]([O-])=C1/CC2C=CC3CC1CC2C3
InChIInChI=1S/C12H17NO/c1-13(14)12-7-9-3-2-8-4-10(9)6-11(12)5-8/h2-3,8-11H,4-7H2,1H3/b13-12+
InChIKeyUXHVEBGGOBPSFZ-OUKQBFOZSA-N
MW191.27 g/mol
LogP2.19
Rot. Bonds

About N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide

N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide (PubChem CID 5375227) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide.

Molecular Properties

Compound NameN-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide
PubChem CID5375227
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide
SMILESC/[N+]([O-])=C1/CC2C=CC3CC1CC2C3
InChIInChI=1S/C12H17NO/c1-13(14)12-7-9-3-2-8-4-10(9)6-11(12)5-8/h2-3,8-11H,4-7H2,1H3/b13-12+
InChIKeyUXHVEBGGOBPSFZ-OUKQBFOZSA-N
XLogP2.19
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 162416980

Frequently Asked Questions

What is the IUPAC name of N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide?
The IUPAC name of N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide (CID 5375227) is N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide.
What is the SMILES notation for N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide?
The canonical SMILES for N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide is C/[N+]([O-])=C1/CC2C=CC3CC1CC2C3.
What is the InChIKey of N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide?
The InChIKey is UXHVEBGGOBPSFZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(14)12-7-9-3-2-8-4-10(9)6-11(12)5-8/h2-3,8-11H,4-7H2,1H3/b13-12+.
What are the key properties of N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide?
N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide has a molecular weight of 191.27 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyltricyclo[5.3.1.04,9]undec-5-en-2-imine oxide is sourced from PubChem (CID 5375227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).