7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one

C11H19NO3 — CID 102052251

IUPAC7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESCC(C)OC12CCC(=O)N1CCC2(C)O
InChIInChI=1S/C11H19NO3/c1-8(2)15-11-5-4-9(13)12(11)7-6-10(11,3)14/h8,14H,4-7H2,1-3H3
InChIKeyVZUBMPSFEDNHQV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.88
Rot. Bonds2

About 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one

7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one (PubChem CID 102052251) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one
PubChem CID102052251
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESCC(C)OC12CCC(=O)N1CCC2(C)O
InChIInChI=1S/C11H19NO3/c1-8(2)15-11-5-4-9(13)12(11)7-6-10(11,3)14/h8,14H,4-7H2,1-3H3
InChIKeyVZUBMPSFEDNHQV-UHFFFAOYSA-N
XLogP0.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7aR)-7a-(2-hydroxypropan-2-yl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969545
8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 167241280
(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 71762935
7,8-Dihydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
CID 102052250
8-Ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
CID 102052252
(6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 130961806

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one?
The IUPAC name of 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one (CID 102052251) is 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one?
The canonical SMILES for 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one is CC(C)OC12CCC(=O)N1CCC2(C)O.
What is the InChIKey of 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one?
The InChIKey is VZUBMPSFEDNHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)15-11-5-4-9(13)12(11)7-6-10(11,3)14/h8,14H,4-7H2,1-3H3.
What are the key properties of 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one?
7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one has a molecular weight of 213.28 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 102052251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).