N-(4-methylcyclobut-2-en-1-yl)methanimine

C6H9N — CID 147512948

IUPACN-(4-methylcyclobut-2-en-1-yl)methanimine
SMILESC=NC1C=CC1C
InChIInChI=1S/C6H9N/c1-5-3-4-6(5)7-2/h3-6H,2H2,1H3
InChIKeyFJQQXNKMIQANRW-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.26
Rot. Bonds1

About N-(4-methylcyclobut-2-en-1-yl)methanimine

N-(4-methylcyclobut-2-en-1-yl)methanimine (PubChem CID 147512948) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is N-(4-methylcyclobut-2-en-1-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylcyclobut-2-en-1-yl)methanimine
PubChem CID147512948
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC NameN-(4-methylcyclobut-2-en-1-yl)methanimine
SMILESC=NC1C=CC1C
InChIInChI=1S/C6H9N/c1-5-3-4-6(5)7-2/h3-6H,2H2,1H3
InChIKeyFJQQXNKMIQANRW-UHFFFAOYSA-N
XLogP1.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.26
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclobut-2-en-1-yl)methanimine?
The IUPAC name of N-(4-methylcyclobut-2-en-1-yl)methanimine (CID 147512948) is N-(4-methylcyclobut-2-en-1-yl)methanimine.
What is the SMILES notation for N-(4-methylcyclobut-2-en-1-yl)methanimine?
The canonical SMILES for N-(4-methylcyclobut-2-en-1-yl)methanimine is C=NC1C=CC1C.
What is the InChIKey of N-(4-methylcyclobut-2-en-1-yl)methanimine?
The InChIKey is FJQQXNKMIQANRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-5-3-4-6(5)7-2/h3-6H,2H2,1H3.
What are the key properties of N-(4-methylcyclobut-2-en-1-yl)methanimine?
N-(4-methylcyclobut-2-en-1-yl)methanimine has a molecular weight of 95.14 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclobut-2-en-1-yl)methanimine is sourced from PubChem (CID 147512948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).