2-methyl-1H-pyrrole;molecular hydrogen

C5H9N — CID 142051873

IUPAC2-methyl-1H-pyrrole;molecular hydrogen
SMILESCc1ccc[nH]1.[H][H]
InChIInChI=1S/C5H7N.H2/c1-5-3-2-4-6-5;/h2-4,6H,1H3;1H
InChIKeyFZRYVNSPQCAAAM-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.57
Rot. Bonds

About 2-methyl-1H-pyrrole;molecular hydrogen

2-methyl-1H-pyrrole;molecular hydrogen (PubChem CID 142051873) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 2-methyl-1H-pyrrole;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-1H-pyrrole;molecular hydrogen
PubChem CID142051873
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name2-methyl-1H-pyrrole;molecular hydrogen
SMILESCc1ccc[nH]1.[H][H]
InChIInChI=1S/C5H7N.H2/c1-5-3-2-4-6-5;/h2-4,6H,1H3;1H
InChIKeyFZRYVNSPQCAAAM-UHFFFAOYSA-N
XLogP1.57
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-methyl-1H-pyrrole;molecular hydrogen 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

acetic acid;2-methyl-1H-pyrrole
CID 160915740
carbamodithioic acid;2-methyl-1H-pyrrole
CID 175439085
cyclopenta-1,3-diene;2-methyl-1H-pyrrole;ruthenium
CID 174581939
ethane;2-methyl-1H-1,5-diazonine;molecular hydrogen
CID 142309149
2-methyl-1H-pyrrole;quinoline
CID 158830391
2-methyl-1H-pyrrole;2-prop-2-enylpyrimidine
CID 174934700
molecular hydrogen;2-propyl-1H-pyrrole
CID 157161964
CID 175600730
CID 175600730
molecular hydrogen;1H-pyrrole-2-carbaldehyde
CID 142199801
molecular hydrogen;1H-pyridine-2-thione
CID 174536001
2,9-dimethyl-1H-azonine
CID 130413615
2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole
CID 132819412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrrole;molecular hydrogen?
The IUPAC name of 2-methyl-1H-pyrrole;molecular hydrogen (CID 142051873) is 2-methyl-1H-pyrrole;molecular hydrogen.
What is the SMILES notation for 2-methyl-1H-pyrrole;molecular hydrogen?
The canonical SMILES for 2-methyl-1H-pyrrole;molecular hydrogen is Cc1ccc[nH]1.[H][H].
What is the InChIKey of 2-methyl-1H-pyrrole;molecular hydrogen?
The InChIKey is FZRYVNSPQCAAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.H2/c1-5-3-2-4-6-5;/h2-4,6H,1H3;1H.
What are the key properties of 2-methyl-1H-pyrrole;molecular hydrogen?
2-methyl-1H-pyrrole;molecular hydrogen has a molecular weight of 83.13 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrrole;molecular hydrogen is sourced from PubChem (CID 142051873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).