(1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one

C8H11NO2 — CID 135040756

IUPAC(1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C1C(=O)N2CCC[C@H]2[C@@H]1O
InChIInChI=1S/C8H11NO2/c1-5-7(10)6-3-2-4-9(6)8(5)11/h6-7,10H,1-4H2/t6-,7+/m0/s1
InChIKeyYZYMYDPKARHUSA-NKWVEPMBSA-N
MW153.18 g/mol
LogP-0.09
Rot. Bonds

About (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one

(1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 135040756) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID135040756
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C1C(=O)N2CCC[C@H]2[C@@H]1O
InChIInChI=1S/C8H11NO2/c1-5-7(10)6-3-2-4-9(6)8(5)11/h6-7,10H,1-4H2/t6-,7+/m0/s1
InChIKeyYZYMYDPKARHUSA-NKWVEPMBSA-N
XLogP-0.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1S,6R,8R)-1,6-dihydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 54756536
(1R,6R,8S)-1,6-dihydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 130960524
(1R,7S,8S)-7-ethenyl-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10997419
1,6-dihydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 76188204
(1S,8R)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 101424878
(1R,6S,8S)-1,6-dihydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 102335279
1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 130146821

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 135040756) is (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one is C=C1C(=O)N2CCC[C@H]2[C@@H]1O.
What is the InChIKey of (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is YZYMYDPKARHUSA-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-7(10)6-3-2-4-9(6)8(5)11/h6-7,10H,1-4H2/t6-,7+/m0/s1.
What are the key properties of (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
(1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 153.18 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 135040756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).