1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]

C13H20N2O — CID 67986659

IUPAC1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]
SMILESCC(C)N1CCC2(CCc3cnoc32)CC1
InChIInChI=1S/C13H20N2O/c1-10(2)15-7-5-13(6-8-15)4-3-11-9-14-16-12(11)13/h9-10H,3-8H2,1-2H3
InChIKeyBTRRLKIGCMXFKC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.36
Rot. Bonds1

About 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]

1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine] (PubChem CID 67986659) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine].

Molecular Properties

Compound Name1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]
PubChem CID67986659
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]
SMILESCC(C)N1CCC2(CCc3cnoc32)CC1
InChIInChI=1S/C13H20N2O/c1-10(2)15-7-5-13(6-8-15)4-3-11-9-14-16-12(11)13/h9-10H,3-8H2,1-2H3
InChIKeyBTRRLKIGCMXFKC-UHFFFAOYSA-N
XLogP2.36
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]?
The IUPAC name of 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine] (CID 67986659) is 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine].
What is the SMILES notation for 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]?
The canonical SMILES for 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine] is CC(C)N1CCC2(CCc3cnoc32)CC1.
What is the InChIKey of 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]?
The InChIKey is BTRRLKIGCMXFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)15-7-5-13(6-8-15)4-3-11-9-14-16-12(11)13/h9-10H,3-8H2,1-2H3.
What are the key properties of 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine]?
1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine] has a molecular weight of 220.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[4,5-dihydrocyclopenta[d][1,2]oxazole-6,4'-piperidine] is sourced from PubChem (CID 67986659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).