1-hydroxy-5-methylidenepyrrolidine-2-thione

C5H7NOS — CID 163932410

IUPAC1-hydroxy-5-methylidenepyrrolidine-2-thione
SMILESC=C1CCC(=S)N1O
InChIInChI=1S/C5H7NOS/c1-4-2-3-5(8)6(4)7/h7H,1-3H2
InChIKeyRJUUULKDZDAVAH-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.31
Rot. Bonds

About 1-hydroxy-5-methylidenepyrrolidine-2-thione

1-hydroxy-5-methylidenepyrrolidine-2-thione (PubChem CID 163932410) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-hydroxy-5-methylidenepyrrolidine-2-thione.

Molecular Properties

Compound Name1-hydroxy-5-methylidenepyrrolidine-2-thione
PubChem CID163932410
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name1-hydroxy-5-methylidenepyrrolidine-2-thione
SMILESC=C1CCC(=S)N1O
InChIInChI=1S/C5H7NOS/c1-4-2-3-5(8)6(4)7/h7H,1-3H2
InChIKeyRJUUULKDZDAVAH-UHFFFAOYSA-N
XLogP1.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-5-sulfanylidenepyrrolidin-2-one
CID 140625506
formaldehyde;1-hydroxy-5-methylidenepyrrolidin-2-one
CID 143408088
ethene;1-hydroxypyrrolidine-2,5-dione
CID 142301114
1,4-dimethylpiperazine-2,5-dithione
CID 15147583
CID 173486938
CID 173486938
1-hydroxy-5-methylideneazocane
CID 89259036
2,5-dimethylidene-1-prop-2-enylpyrrolidine
CID 144985086
(2R)-1-hydroxy-5-sulfanylidenepyrrolidine-2-carbaldehyde
CID 59926721
1-hydroxy-5-sulfanylidenepyrrolidine-2-carbaldehyde
CID 20622975
tetrakis(1-hydroxypyrrolidine-2,5-dione);λ2-stannane
CID 173205649
azane;1-hydroxypyrrolidine-2,5-dione
CID 11073454
1-(2,5-dimethylidenepyrrolidin-1-yl)-3-methylbutan-2-one
CID 175632000

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methylidenepyrrolidine-2-thione?
The IUPAC name of 1-hydroxy-5-methylidenepyrrolidine-2-thione (CID 163932410) is 1-hydroxy-5-methylidenepyrrolidine-2-thione.
What is the SMILES notation for 1-hydroxy-5-methylidenepyrrolidine-2-thione?
The canonical SMILES for 1-hydroxy-5-methylidenepyrrolidine-2-thione is C=C1CCC(=S)N1O.
What is the InChIKey of 1-hydroxy-5-methylidenepyrrolidine-2-thione?
The InChIKey is RJUUULKDZDAVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-4-2-3-5(8)6(4)7/h7H,1-3H2.
What are the key properties of 1-hydroxy-5-methylidenepyrrolidine-2-thione?
1-hydroxy-5-methylidenepyrrolidine-2-thione has a molecular weight of 129.18 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methylidenepyrrolidine-2-thione is sourced from PubChem (CID 163932410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).