2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol

C16H23NO — CID 177283929

IUPAC2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol
SMILESCC(C)(C)c1ccc2c(n1)C(C)(O)C1(CC2)CC1
InChIInChI=1S/C16H23NO/c1-14(2,3)12-6-5-11-7-8-16(9-10-16)15(4,18)13(11)17-12/h5-6,18H,7-10H2,1-4H3
InChIKeyUWDOWHKLGUKYFP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.31
Rot. Bonds

About 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol

2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol (PubChem CID 177283929) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol.

Molecular Properties

Compound Name2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol
PubChem CID177283929
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol
SMILESCC(C)(C)c1ccc2c(n1)C(C)(O)C1(CC2)CC1
InChIInChI=1S/C16H23NO/c1-14(2,3)12-6-5-11-7-8-16(9-10-16)15(4,18)13(11)17-12/h5-6,18H,7-10H2,1-4H3
InChIKeyUWDOWHKLGUKYFP-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol?
The IUPAC name of 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol (CID 177283929) is 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol.
What is the SMILES notation for 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol?
The canonical SMILES for 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol is CC(C)(C)c1ccc2c(n1)C(C)(O)C1(CC2)CC1.
What is the InChIKey of 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol?
The InChIKey is UWDOWHKLGUKYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14(2,3)12-6-5-11-7-8-16(9-10-16)15(4,18)13(11)17-12/h5-6,18H,7-10H2,1-4H3.
What are the key properties of 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol?
2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol has a molecular weight of 245.37 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol is sourced from PubChem (CID 177283929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).