(7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one

C21H37NO2 — CID 170037250

IUPAC(7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESCC(C)(C)C1CCCC(C2C(=O)N3CC[C@@H](O)C3C2(C)C)CCC1
InChIInChI=1S/C21H37NO2/c1-20(2,3)15-10-6-8-14(9-7-11-15)17-19(24)22-13-12-16(23)18(22)21(17,4)5/h14-18,23H,6-13H2,1-5H3/t14?,15?,16-,17?,18?/m1/s1
InChIKeyBBVVGCCQORJZOR-YHGKOVQASA-N
MW335.53 g/mol
LogP4.24
Rot. Bonds1

About (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one

(7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (PubChem CID 170037250) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.

Molecular Properties

Compound Name(7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
PubChem CID170037250
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Name(7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESCC(C)(C)C1CCCC(C2C(=O)N3CC[C@@H](O)C3C2(C)C)CCC1
InChIInChI=1S/C21H37NO2/c1-20(2,3)15-10-6-8-14(9-7-11-15)17-19(24)22-13-12-16(23)18(22)21(17,4)5/h14-18,23H,6-13H2,1-5H3/t14?,15?,16-,17?,18?/m1/s1
InChIKeyBBVVGCCQORJZOR-YHGKOVQASA-N
XLogP4.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The IUPAC name of (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (CID 170037250) is (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.
What is the SMILES notation for (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The canonical SMILES for (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is CC(C)(C)C1CCCC(C2C(=O)N3CC[C@@H](O)C3C2(C)C)CCC1.
What is the InChIKey of (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The InChIKey is BBVVGCCQORJZOR-YHGKOVQASA-N. The full InChI is InChI=1S/C21H37NO2/c1-20(2,3)15-10-6-8-14(9-7-11-15)17-19(24)22-13-12-16(23)18(22)21(17,4)5/h14-18,23H,6-13H2,1-5H3/t14?,15?,16-,17?,18?/m1/s1.
What are the key properties of (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
(7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one has a molecular weight of 335.53 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(5-tert-butylcyclooctyl)-7-hydroxy-1,1-dimethyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is sourced from PubChem (CID 170037250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).