1-ethenyl-2-methylidenepyrrolidine;methanethiol

C8H15NS — CID 142292626

IUPAC1-ethenyl-2-methylidenepyrrolidine;methanethiol
SMILESC=CN1CCCC1=C.CS
InChIInChI=1S/C7H11N.CH4S/c1-3-8-6-4-5-7(8)2;1-2/h3H,1-2,4-6H2;2H,1H3
InChIKeyLAOKZZRQXFHPMS-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.29
Rot. Bonds1

About 1-ethenyl-2-methylidenepyrrolidine;methanethiol

1-ethenyl-2-methylidenepyrrolidine;methanethiol (PubChem CID 142292626) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-ethenyl-2-methylidenepyrrolidine;methanethiol.

Molecular Properties

Compound Name1-ethenyl-2-methylidenepyrrolidine;methanethiol
PubChem CID142292626
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-ethenyl-2-methylidenepyrrolidine;methanethiol
SMILESC=CN1CCCC1=C.CS
InChIInChI=1S/C7H11N.CH4S/c1-3-8-6-4-5-7(8)2;1-2/h3H,1-2,4-6H2;2H,1H3
InChIKeyLAOKZZRQXFHPMS-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-ethenyl-2-methylidenepyrrolidine;methanethiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylidenepyrrolidine;methanethiol?
The IUPAC name of 1-ethenyl-2-methylidenepyrrolidine;methanethiol (CID 142292626) is 1-ethenyl-2-methylidenepyrrolidine;methanethiol.
What is the SMILES notation for 1-ethenyl-2-methylidenepyrrolidine;methanethiol?
The canonical SMILES for 1-ethenyl-2-methylidenepyrrolidine;methanethiol is C=CN1CCCC1=C.CS.
What is the InChIKey of 1-ethenyl-2-methylidenepyrrolidine;methanethiol?
The InChIKey is LAOKZZRQXFHPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.CH4S/c1-3-8-6-4-5-7(8)2;1-2/h3H,1-2,4-6H2;2H,1H3.
What are the key properties of 1-ethenyl-2-methylidenepyrrolidine;methanethiol?
1-ethenyl-2-methylidenepyrrolidine;methanethiol has a molecular weight of 157.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylidenepyrrolidine;methanethiol is sourced from PubChem (CID 142292626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).