7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane

C12H21N — CID 130694462

IUPAC7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane
SMILESCC(C1CC1)N1CC2CCCCC21
InChIInChI=1S/C12H21N/c1-9(10-6-7-10)13-8-11-4-2-3-5-12(11)13/h9-12H,2-8H2,1H3
InChIKeyVHLRCRHIONEKMQ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.66
Rot. Bonds2

About 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane

7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane (PubChem CID 130694462) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane
PubChem CID130694462
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane
SMILESCC(C1CC1)N1CC2CCCCC21
InChIInChI=1S/C12H21N/c1-9(10-6-7-10)13-8-11-4-2-3-5-12(11)13/h9-12H,2-8H2,1H3
InChIKeyVHLRCRHIONEKMQ-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane?
The IUPAC name of 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane (CID 130694462) is 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane.
What is the SMILES notation for 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane?
The canonical SMILES for 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane is CC(C1CC1)N1CC2CCCCC21.
What is the InChIKey of 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane?
The InChIKey is VHLRCRHIONEKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-9(10-6-7-10)13-8-11-4-2-3-5-12(11)13/h9-12H,2-8H2,1H3.
What are the key properties of 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane?
7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane has a molecular weight of 179.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane is sourced from PubChem (CID 130694462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).