N-cyclopenta-1,3-dien-1-ylmethanimine

C6H7N — CID 163574247

IUPACN-cyclopenta-1,3-dien-1-ylmethanimine
SMILESC=NC1=CC=CC1
InChIInChI=1S/C6H7N/c1-7-6-4-2-3-5-6/h2-4H,1,5H2
InChIKeyGCAXPHVKBRAMHZ-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.53
Rot. Bonds1

About N-cyclopenta-1,3-dien-1-ylmethanimine

N-cyclopenta-1,3-dien-1-ylmethanimine (PubChem CID 163574247) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylmethanimine.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylmethanimine
PubChem CID163574247
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC NameN-cyclopenta-1,3-dien-1-ylmethanimine
SMILESC=NC1=CC=CC1
InChIInChI=1S/C6H7N/c1-7-6-4-2-3-5-6/h2-4H,1,5H2
InChIKeyGCAXPHVKBRAMHZ-UHFFFAOYSA-N
XLogP1.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.53
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-cyclopenta-1,3-dien-1-ylmethanimine?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylmethanimine (CID 163574247) is N-cyclopenta-1,3-dien-1-ylmethanimine.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylmethanimine?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylmethanimine is C=NC1=CC=CC1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylmethanimine?
The InChIKey is GCAXPHVKBRAMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-7-6-4-2-3-5-6/h2-4H,1,5H2.
What are the key properties of N-cyclopenta-1,3-dien-1-ylmethanimine?
N-cyclopenta-1,3-dien-1-ylmethanimine has a molecular weight of 93.13 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-ylmethanimine is sourced from PubChem (CID 163574247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).