(1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one

C15H17NO2 — CID 53356469

IUPAC(1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one
SMILESO=C1C[C@@H](COCc2ccccc2)[C@@H]2CC=CN12
InChIInChI=1S/C15H17NO2/c17-15-9-13(14-7-4-8-16(14)15)11-18-10-12-5-2-1-3-6-12/h1-6,8,13-14H,7,9-11H2/t13-,14-/m0/s1
InChIKeyMVNXXXMTGRPKIX-KBPBESRZSA-N
MW243.31 g/mol
LogP2.34
Rot. Bonds4

About (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one

(1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one (PubChem CID 53356469) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one
PubChem CID53356469
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one
SMILESO=C1C[C@@H](COCc2ccccc2)[C@@H]2CC=CN12
InChIInChI=1S/C15H17NO2/c17-15-9-13(14-7-4-8-16(14)15)11-18-10-12-5-2-1-3-6-12/h1-6,8,13-14H,7,9-11H2/t13-,14-/m0/s1
InChIKeyMVNXXXMTGRPKIX-KBPBESRZSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one?
The IUPAC name of (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one (CID 53356469) is (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one is O=C1C[C@@H](COCc2ccccc2)[C@@H]2CC=CN12.
What is the InChIKey of (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one?
The InChIKey is MVNXXXMTGRPKIX-KBPBESRZSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15-9-13(14-7-4-8-16(14)15)11-18-10-12-5-2-1-3-6-12/h1-6,8,13-14H,7,9-11H2/t13-,14-/m0/s1.
What are the key properties of (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one?
(1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one has a molecular weight of 243.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1-(phenylmethoxymethyl)-1,2,7,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 53356469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).