5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole

C8H13NS — CID 101281175

IUPAC5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESCS/C(C)=C\C1=NCCC1
InChIInChI=1S/C8H13NS/c1-7(10-2)6-8-4-3-5-9-8/h6H,3-5H2,1-2H3/b7-6-
InChIKeyKXBFKDOTCGOHRJ-SREVYHEPSA-N
MW155.27 g/mol
LogP2.49
Rot. Bonds2

About 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole

5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole (PubChem CID 101281175) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole
PubChem CID101281175
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESCS/C(C)=C\C1=NCCC1
InChIInChI=1S/C8H13NS/c1-7(10-2)6-8-4-3-5-9-8/h6H,3-5H2,1-2H3/b7-6-
InChIKeyKXBFKDOTCGOHRJ-SREVYHEPSA-N
XLogP2.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole 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

2H-Pyrrole, 3,4-dihydro-5-[2-(methylthio)-1-propenyl]-
CID 5372591
6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-lambda6-sulfane
CID 123611983
6-(2,3-Dihydrothiophen-2-yl)-2,3-dihydropyridine
CID 155216911
3,4-Dihydro-5-[2-(methylthio)-1-propenyl]-2h-pyrrole
CID 587781

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole (CID 101281175) is 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole is CS/C(C)=C\C1=NCCC1.
What is the InChIKey of 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is KXBFKDOTCGOHRJ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(10-2)6-8-4-3-5-9-8/h6H,3-5H2,1-2H3/b7-6-.
What are the key properties of 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole?
5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 155.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-methylsulfanylprop-1-enyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 101281175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).