7a,8-dihydrocyclopropa[i]isoquinoline

C10H9N — CID 142112819

IUPAC7a,8-dihydrocyclopropa[i]isoquinoline
SMILESC1=CC2CC23C=NC=CC3=C1
InChIInChI=1S/C10H9N/c1-2-8-4-5-11-7-10(8)6-9(10)3-1/h1-5,7,9H,6H2
InChIKeyNEPQRBSVRVAVHT-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.09
Rot. Bonds

About 7a,8-dihydrocyclopropa[i]isoquinoline

7a,8-dihydrocyclopropa[i]isoquinoline (PubChem CID 142112819) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 7a,8-dihydrocyclopropa[i]isoquinoline.

Molecular Properties

Compound Name7a,8-dihydrocyclopropa[i]isoquinoline
PubChem CID142112819
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name7a,8-dihydrocyclopropa[i]isoquinoline
SMILESC1=CC2CC23C=NC=CC3=C1
InChIInChI=1S/C10H9N/c1-2-8-4-5-11-7-10(8)6-9(10)3-1/h1-5,7,9H,6H2
InChIKeyNEPQRBSVRVAVHT-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.09
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?
The IUPAC name of 7a,8-dihydrocyclopropa[i]isoquinoline (CID 142112819) is 7a,8-dihydrocyclopropa[i]isoquinoline.
What is the SMILES notation for 7a,8-dihydrocyclopropa[i]isoquinoline?
The canonical SMILES for 7a,8-dihydrocyclopropa[i]isoquinoline is C1=CC2CC23C=NC=CC3=C1.
What is the InChIKey of 7a,8-dihydrocyclopropa[i]isoquinoline?
The InChIKey is NEPQRBSVRVAVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-8-4-5-11-7-10(8)6-9(10)3-1/h1-5,7,9H,6H2.
What are the key properties of 7a,8-dihydrocyclopropa[i]isoquinoline?
7a,8-dihydrocyclopropa[i]isoquinoline has a molecular weight of 143.19 g/mol, XLogP of 2.09, 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 is sourced from PubChem (CID 142112819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).