7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

C13H17N — CID 139410237

IUPAC7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCCc1ccc2c(c1)CNCC21CC1
InChIInChI=1S/C13H17N/c1-2-10-3-4-12-11(7-10)8-14-9-13(12)5-6-13/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyZLUBXRAANWJMAQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.38
Rot. Bonds1

About 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (PubChem CID 139410237) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
PubChem CID139410237
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
SMILESCCc1ccc2c(c1)CNCC21CC1
InChIInChI=1S/C13H17N/c1-2-10-3-4-12-11(7-10)8-14-9-13(12)5-6-13/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyZLUBXRAANWJMAQ-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The IUPAC name of 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] (CID 139410237) is 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is CCc1ccc2c(c1)CNCC21CC1.
What is the InChIKey of 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
The InChIKey is ZLUBXRAANWJMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-10-3-4-12-11(7-10)8-14-9-13(12)5-6-13/h3-4,7,14H,2,5-6,8-9H2,1H3.
What are the key properties of 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]?
7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] has a molecular weight of 187.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 139410237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).