bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine

C13H19N — CID 70007313

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine
SMILESCCN1CCCCC1.c1cc2ccc1-2
InChIInChI=1S/C7H15N.C6H4/c1-2-8-6-4-3-5-7-8;1-2-6-4-3-5(1)6/h2-7H2,1H3;1-4H
InChIKeyASUDWLICYRKEBT-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.16
Rot. Bonds1

About bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine

bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine (PubChem CID 70007313) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine
PubChem CID70007313
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine
SMILESCCN1CCCCC1.c1cc2ccc1-2
InChIInChI=1S/C7H15N.C6H4/c1-2-8-6-4-3-5-7-8;1-2-6-4-3-5(1)6/h2-7H2,1H3;1-4H
InChIKeyASUDWLICYRKEBT-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine (CID 70007313) is bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine is CCN1CCCCC1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine?
The InChIKey is ASUDWLICYRKEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H4/c1-2-8-6-4-3-5-7-8;1-2-6-4-3-5(1)6/h2-7H2,1H3;1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine?
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine has a molecular weight of 189.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine is sourced from PubChem (CID 70007313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).