N-methylcyclopenta-2,4-dien-1-imine

C6H7N — CID 14340288

IUPACN-methylcyclopenta-2,4-dien-1-imine
SMILESCN=C1C=CC=C1
InChIInChI=1S/C6H7N/c1-7-6-4-2-3-5-6/h2-5H,1H3
InChIKeyAGSHFYUAUNUZHK-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.18
Rot. Bonds

About N-methylcyclopenta-2,4-dien-1-imine

N-methylcyclopenta-2,4-dien-1-imine (PubChem CID 14340288) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is N-methylcyclopenta-2,4-dien-1-imine.

Molecular Properties

Compound NameN-methylcyclopenta-2,4-dien-1-imine
PubChem CID14340288
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC NameN-methylcyclopenta-2,4-dien-1-imine
SMILESCN=C1C=CC=C1
InChIInChI=1S/C6H7N/c1-7-6-4-2-3-5-6/h2-5H,1H3
InChIKeyAGSHFYUAUNUZHK-UHFFFAOYSA-N
XLogP1.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.18
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-methylcyclopenta-2,4-dien-1-imine?
The IUPAC name of N-methylcyclopenta-2,4-dien-1-imine (CID 14340288) is N-methylcyclopenta-2,4-dien-1-imine.
What is the SMILES notation for N-methylcyclopenta-2,4-dien-1-imine?
The canonical SMILES for N-methylcyclopenta-2,4-dien-1-imine is CN=C1C=CC=C1.
What is the InChIKey of N-methylcyclopenta-2,4-dien-1-imine?
The InChIKey is AGSHFYUAUNUZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-7-6-4-2-3-5-6/h2-5H,1H3.
What are the key properties of N-methylcyclopenta-2,4-dien-1-imine?
N-methylcyclopenta-2,4-dien-1-imine has a molecular weight of 93.13 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclopenta-2,4-dien-1-imine is sourced from PubChem (CID 14340288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).