N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine

C10H13N — CID 134404631

IUPACN-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine
SMILESC/C=N/C1=CC=C[C@@H]2C(C)C12
InChIInChI=1S/C10H13N/c1-3-11-9-6-4-5-8-7(2)10(8)9/h3-8,10H,1-2H3/b11-3+/t7?,8-,10?/m1/s1
InChIKeyYWFPTZVIOASVCR-IOUSFIJCSA-N
MW147.22 g/mol
LogP2.41
Rot. Bonds1

About N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine

N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine (PubChem CID 134404631) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine
PubChem CID134404631
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine
SMILESC/C=N/C1=CC=C[C@@H]2C(C)C12
InChIInChI=1S/C10H13N/c1-3-11-9-6-4-5-8-7(2)10(8)9/h3-8,10H,1-2H3/b11-3+/t7?,8-,10?/m1/s1
InChIKeyYWFPTZVIOASVCR-IOUSFIJCSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine?
The IUPAC name of N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine (CID 134404631) is N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine.
What is the SMILES notation for N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine?
The canonical SMILES for N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine is C/C=N/C1=CC=C[C@@H]2C(C)C12.
What is the InChIKey of N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine?
The InChIKey is YWFPTZVIOASVCR-IOUSFIJCSA-N. The full InChI is InChI=1S/C10H13N/c1-3-11-9-6-4-5-8-7(2)10(8)9/h3-8,10H,1-2H3/b11-3+/t7?,8-,10?/m1/s1.
What are the key properties of N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine?
N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine has a molecular weight of 147.22 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethanimine is sourced from PubChem (CID 134404631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).