N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine

C10H11N — CID 56624164

IUPACN-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine
SMILESC1=CCC(N=C2CC=CC2)=C1
InChIInChI=1S/C10H11N/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1-5H,6-8H2
InChIKeyTWIAGWDAYVEJNJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.62
Rot. Bonds1

About N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine

N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine (PubChem CID 56624164) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine
PubChem CID56624164
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC NameN-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine
SMILESC1=CCC(N=C2CC=CC2)=C1
InChIInChI=1S/C10H11N/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1-5H,6-8H2
InChIKeyTWIAGWDAYVEJNJ-UHFFFAOYSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.62
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-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine (CID 56624164) is N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine is C1=CCC(N=C2CC=CC2)=C1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine?
The InChIKey is TWIAGWDAYVEJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1-5H,6-8H2.
What are the key properties of N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine?
N-cyclopenta-1,3-dien-1-ylcyclopent-3-en-1-imine has a molecular weight of 145.20 g/mol, XLogP of 2.62, 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-ylcyclopent-3-en-1-imine is sourced from PubChem (CID 56624164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).