1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one

C8H11NO2 — CID 130146821

IUPAC1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C1C(=O)N2CCCC2C1O
InChIInChI=1S/C8H11NO2/c1-5-7(10)6-3-2-4-9(6)8(5)11/h6-7,10H,1-4H2
InChIKeyYZYMYDPKARHUSA-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.09
Rot. Bonds

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

1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 130146821) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID130146821
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C1C(=O)N2CCCC2C1O
InChIInChI=1S/C8H11NO2/c1-5-7(10)6-3-2-4-9(6)8(5)11/h6-7,10H,1-4H2
InChIKeyYZYMYDPKARHUSA-UHFFFAOYSA-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'}

Analyze 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 135040756
(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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 130146821) is 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one is C=C1C(=O)N2CCCC2C1O.
What is the InChIKey of 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is YZYMYDPKARHUSA-UHFFFAOYSA-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.
What are the key properties of 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
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 1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 130146821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).