8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]

C15H18 — CID 156809087

IUPAC8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
SMILESCc1c2c(cc3c1C1(CC3)CC1)CCC2
InChIInChI=1S/C15H18/c1-10-13-4-2-3-11(13)9-12-5-6-15(7-8-15)14(10)12/h9H,2-8H2,1H3
InChIKeyYXHCAPZSPQJQME-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.46
Rot. Bonds

About 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]

8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] (PubChem CID 156809087) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane].

Molecular Properties

Compound Name8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
PubChem CID156809087
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]
SMILESCc1c2c(cc3c1C1(CC3)CC1)CCC2
InChIInChI=1S/C15H18/c1-10-13-4-2-3-11(13)9-12-5-6-15(7-8-15)14(10)12/h9H,2-8H2,1H3
InChIKeyYXHCAPZSPQJQME-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]?
The IUPAC name of 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] (CID 156809087) is 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane].
What is the SMILES notation for 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]?
The canonical SMILES for 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] is Cc1c2c(cc3c1C1(CC3)CC1)CCC2.
What is the InChIKey of 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]?
The InChIKey is YXHCAPZSPQJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-10-13-4-2-3-11(13)9-12-5-6-15(7-8-15)14(10)12/h9H,2-8H2,1H3.
What are the key properties of 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane]?
8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] has a molecular weight of 198.31 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[2,3,5,6-tetrahydro-1H-s-indacene-7,1'-cyclopropane] is sourced from PubChem (CID 156809087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).