3-ethyl-7a,8-dihydrocyclopropa[i]quinoline

C12H13N — CID 142181674

IUPAC3-ethyl-7a,8-dihydrocyclopropa[i]quinoline
SMILESCCC1=CC2=CC=CC3CC23N=C1
InChIInChI=1S/C12H13N/c1-2-9-6-10-4-3-5-11-7-12(10,11)13-8-9/h3-6,8,11H,2,7H2,1H3
InChIKeyAJIQJOGDNHUFPW-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.66
Rot. Bonds1

About 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline

3-ethyl-7a,8-dihydrocyclopropa[i]quinoline (PubChem CID 142181674) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline.

Molecular Properties

Compound Name3-ethyl-7a,8-dihydrocyclopropa[i]quinoline
PubChem CID142181674
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name3-ethyl-7a,8-dihydrocyclopropa[i]quinoline
SMILESCCC1=CC2=CC=CC3CC23N=C1
InChIInChI=1S/C12H13N/c1-2-9-6-10-4-3-5-11-7-12(10,11)13-8-9/h3-6,8,11H,2,7H2,1H3
InChIKeyAJIQJOGDNHUFPW-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline?
The IUPAC name of 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline (CID 142181674) is 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline.
What is the SMILES notation for 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline?
The canonical SMILES for 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline is CCC1=CC2=CC=CC3CC23N=C1.
What is the InChIKey of 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline?
The InChIKey is AJIQJOGDNHUFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-2-9-6-10-4-3-5-11-7-12(10,11)13-8-9/h3-6,8,11H,2,7H2,1H3.
What are the key properties of 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline?
3-ethyl-7a,8-dihydrocyclopropa[i]quinoline has a molecular weight of 171.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7a,8-dihydrocyclopropa[i]quinoline is sourced from PubChem (CID 142181674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).