1-methylpyrrole;1H-pyrrole

C9H12N2 — CID 23358564

IUPAC1-methylpyrrole;1H-pyrrole
SMILESCn1cccc1.c1cc[nH]c1
InChIInChI=1S/C5H7N.C4H5N/c1-6-4-2-3-5-6;1-2-4-5-3-1/h2-5H,1H3;1-5H
InChIKeyHLMVGLIKFHAVTM-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.04
Rot. Bonds

About 1-methylpyrrole;1H-pyrrole

1-methylpyrrole;1H-pyrrole (PubChem CID 23358564) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-methylpyrrole;1H-pyrrole.

Molecular Properties

Compound Name1-methylpyrrole;1H-pyrrole
PubChem CID23358564
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-methylpyrrole;1H-pyrrole
SMILESCn1cccc1.c1cc[nH]c1
InChIInChI=1S/C5H7N.C4H5N/c1-6-4-2-3-5-6;1-2-4-5-3-1/h2-5H,1H3;1-5H
InChIKeyHLMVGLIKFHAVTM-UHFFFAOYSA-N
XLogP2.04
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole;1H-pyrrole?
The IUPAC name of 1-methylpyrrole;1H-pyrrole (CID 23358564) is 1-methylpyrrole;1H-pyrrole.
What is the SMILES notation for 1-methylpyrrole;1H-pyrrole?
The canonical SMILES for 1-methylpyrrole;1H-pyrrole is Cn1cccc1.c1cc[nH]c1.
What is the InChIKey of 1-methylpyrrole;1H-pyrrole?
The InChIKey is HLMVGLIKFHAVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H5N/c1-6-4-2-3-5-6;1-2-4-5-3-1/h2-5H,1H3;1-5H.
What are the key properties of 1-methylpyrrole;1H-pyrrole?
1-methylpyrrole;1H-pyrrole has a molecular weight of 148.21 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole;1H-pyrrole is sourced from PubChem (CID 23358564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).