(7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C10H17NO — CID 45096358

IUPAC(7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)[C@H]1CCN2C(=O)CC[C@H]12
InChIInChI=1S/C10H17NO/c1-7(2)8-5-6-11-9(8)3-4-10(11)12/h7-9H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyWYCHUDGORBIDIO-RKDXNWHRSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds1

About (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 45096358) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID45096358
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)[C@H]1CCN2C(=O)CC[C@H]12
InChIInChI=1S/C10H17NO/c1-7(2)8-5-6-11-9(8)3-4-10(11)12/h7-9H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyWYCHUDGORBIDIO-RKDXNWHRSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 45096358) is (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)[C@H]1CCN2C(=O)CC[C@H]12.
What is the InChIKey of (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is WYCHUDGORBIDIO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)8-5-6-11-9(8)3-4-10(11)12/h7-9H,3-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-7-propan-2-yl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 45096358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).