4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]

C13H16 — CID 169181422

IUPAC4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]
SMILESCCc1cccc2c1C1(CC2)CC1
InChIInChI=1S/C13H16/c1-2-10-4-3-5-11-6-7-13(8-9-13)12(10)11/h3-5H,2,6-9H2,1H3
InChIKeyHAGQEQUJMMUWTR-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.23
Rot. Bonds1

About 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]

4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane] (PubChem CID 169181422) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane].

Molecular Properties

Compound Name4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]
PubChem CID169181422
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]
SMILESCCc1cccc2c1C1(CC2)CC1
InChIInChI=1S/C13H16/c1-2-10-4-3-5-11-6-7-13(8-9-13)12(10)11/h3-5H,2,6-9H2,1H3
InChIKeyHAGQEQUJMMUWTR-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The IUPAC name of 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane] (CID 169181422) is 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane].
What is the SMILES notation for 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The canonical SMILES for 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane] is CCc1cccc2c1C1(CC2)CC1.
What is the InChIKey of 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
The InChIKey is HAGQEQUJMMUWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-2-10-4-3-5-11-6-7-13(8-9-13)12(10)11/h3-5H,2,6-9H2,1H3.
What are the key properties of 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]?
4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane] has a molecular weight of 172.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane] is sourced from PubChem (CID 169181422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).