3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane

C16H20O — CID 153095683

IUPAC3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane
SMILESc1ccc2c(c1)CCCC21CC1CC1COC1
InChIInChI=1S/C16H20O/c1-2-6-15-13(4-1)5-3-7-16(15)9-14(16)8-12-10-17-11-12/h1-2,4,6,12,14H,3,5,7-11H2
InChIKeyVQBFPOWGHSCAET-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.32
Rot. Bonds2

About 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane

3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane (PubChem CID 153095683) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane.

Molecular Properties

Compound Name3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane
PubChem CID153095683
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane
SMILESc1ccc2c(c1)CCCC21CC1CC1COC1
InChIInChI=1S/C16H20O/c1-2-6-15-13(4-1)5-3-7-16(15)9-14(16)8-12-10-17-11-12/h1-2,4,6,12,14H,3,5,7-11H2
InChIKeyVQBFPOWGHSCAET-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
CID 81351640
2-methyl-N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)propan-1-amine
CID 62713354
[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 94557979
spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine
CID 71743862
tert-butyl N-[4-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)cyclohexyl]carbamate
CID 147490959
N-(pyrimidin-5-ylmethyl)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanamine
CID 99695886
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 62707821
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
4,4,5,5-tetramethyl-2-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]-1,3,2-dioxaborolane
CID 166442850
2-methoxy-N-(spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-ylmethyl)ethanamine
CID 62712841
(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 129294066
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151

Frequently Asked Questions

What is the IUPAC name of 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane?
The IUPAC name of 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane (CID 153095683) is 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane.
What is the SMILES notation for 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane?
The canonical SMILES for 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane is c1ccc2c(c1)CCCC21CC1CC1COC1.
What is the InChIKey of 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane?
The InChIKey is VQBFPOWGHSCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-6-15-13(4-1)5-3-7-16(15)9-14(16)8-12-10-17-11-12/h1-2,4,6,12,14H,3,5,7-11H2.
What are the key properties of 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane?
3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane has a molecular weight of 228.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane is sourced from PubChem (CID 153095683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).