7a,8-dihydrocyclopropa[i]isoquinoline;ethane

C12H15N — CID 142112818

IUPAC7a,8-dihydrocyclopropa[i]isoquinoline;ethane
SMILESC1=CC2CC23C=NC=CC3=C1.CC
InChIInChI=1S/C10H9N.C2H6/c1-2-8-4-5-11-7-10(8)6-9(10)3-1;1-2/h1-5,7,9H,6H2;1-2H3
InChIKeyPNZSBGHIEKJQHP-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.11
Rot. Bonds

About 7a,8-dihydrocyclopropa[i]isoquinoline;ethane

7a,8-dihydrocyclopropa[i]isoquinoline;ethane (PubChem CID 142112818) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 7a,8-dihydrocyclopropa[i]isoquinoline;ethane.

Molecular Properties

Compound Name7a,8-dihydrocyclopropa[i]isoquinoline;ethane
PubChem CID142112818
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name7a,8-dihydrocyclopropa[i]isoquinoline;ethane
SMILESC1=CC2CC23C=NC=CC3=C1.CC
InChIInChI=1S/C10H9N.C2H6/c1-2-8-4-5-11-7-10(8)6-9(10)3-1;1-2/h1-5,7,9H,6H2;1-2H3
InChIKeyPNZSBGHIEKJQHP-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7a,8-dihydrocyclopropa[i]isoquinoline;ethane?
The IUPAC name of 7a,8-dihydrocyclopropa[i]isoquinoline;ethane (CID 142112818) is 7a,8-dihydrocyclopropa[i]isoquinoline;ethane.
What is the SMILES notation for 7a,8-dihydrocyclopropa[i]isoquinoline;ethane?
The canonical SMILES for 7a,8-dihydrocyclopropa[i]isoquinoline;ethane is C1=CC2CC23C=NC=CC3=C1.CC.
What is the InChIKey of 7a,8-dihydrocyclopropa[i]isoquinoline;ethane?
The InChIKey is PNZSBGHIEKJQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2H6/c1-2-8-4-5-11-7-10(8)6-9(10)3-1;1-2/h1-5,7,9H,6H2;1-2H3.
What are the key properties of 7a,8-dihydrocyclopropa[i]isoquinoline;ethane?
7a,8-dihydrocyclopropa[i]isoquinoline;ethane has a molecular weight of 173.26 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7a,8-dihydrocyclopropa[i]isoquinoline;ethane is sourced from PubChem (CID 142112818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).