2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline

C12H15N — CID 69354092

IUPAC2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline
SMILESC1=CCC2NC3CCCC3=CC2=C1
InChIInChI=1S/C12H15N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-2,4,8,11-13H,3,5-7H2
InChIKeyPJHHYAWQBVROAW-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.32
Rot. Bonds

About 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline

2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline (PubChem CID 69354092) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline
PubChem CID69354092
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline
SMILESC1=CCC2NC3CCCC3=CC2=C1
InChIInChI=1S/C12H15N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-2,4,8,11-13H,3,5-7H2
InChIKeyPJHHYAWQBVROAW-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline (CID 69354092) is 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline is C1=CCC2NC3CCCC3=CC2=C1.
What is the InChIKey of 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline?
The InChIKey is PJHHYAWQBVROAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-2,4,8,11-13H,3,5-7H2.
What are the key properties of 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline?
2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline has a molecular weight of 173.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,4a,5-hexahydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 69354092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).