2-[(Z)-but-1-enyl]-3H-pyrrole

C8H11N — CID 59879717

IUPAC2-[(Z)-but-1-enyl]-3H-pyrrole
SMILESCC/C=C\C1=NC=CC1
InChIInChI=1S/C8H11N/c1-2-3-5-8-6-4-7-9-8/h3-5,7H,2,6H2,1H3/b5-3-
InChIKeyJTNLYJUKHDBQCT-HYXAFXHYSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds2

About 2-[(Z)-but-1-enyl]-3H-pyrrole

2-[(Z)-but-1-enyl]-3H-pyrrole (PubChem CID 59879717) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-3H-pyrrole.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-3H-pyrrole
PubChem CID59879717
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-[(Z)-but-1-enyl]-3H-pyrrole
SMILESCC/C=C\C1=NC=CC1
InChIInChI=1S/C8H11N/c1-2-3-5-8-6-4-7-9-8/h3-5,7H,2,6H2,1H3/b5-3-
InChIKeyJTNLYJUKHDBQCT-HYXAFXHYSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(Z)-but-1-enyl]-3H-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

2-methyl-3H-azepine
CID 23594836
6-Ethyl-2,3-dihydropyridine
CID 58693567
(Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine
CID 166865280
(Z)-N-[(E)-2-fluoroethenyl]pent-3-en-2-imine
CID 166865306
2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole
CID 170447003
(Z)-1,2-difluoro-2-methyl-N-[(Z)-prop-1-enyl]hex-4-en-3-imine
CID 143345041
(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
CID 144801044
5,6-dihydro-1H-indolizin-4-ium
CID 18684139
5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684141
5-ethyl-2H-pyrrole
CID 20725724
2-methyl-3H-pyrrole
CID 22094043
7-methyl-4H-azepine
CID 23594837

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-3H-pyrrole?
The IUPAC name of 2-[(Z)-but-1-enyl]-3H-pyrrole (CID 59879717) is 2-[(Z)-but-1-enyl]-3H-pyrrole.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-3H-pyrrole?
The canonical SMILES for 2-[(Z)-but-1-enyl]-3H-pyrrole is CC/C=C\C1=NC=CC1.
What is the InChIKey of 2-[(Z)-but-1-enyl]-3H-pyrrole?
The InChIKey is JTNLYJUKHDBQCT-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-3-5-8-6-4-7-9-8/h3-5,7H,2,6H2,1H3/b5-3-.
What are the key properties of 2-[(Z)-but-1-enyl]-3H-pyrrole?
2-[(Z)-but-1-enyl]-3H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-3H-pyrrole is sourced from PubChem (CID 59879717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).