benzene;2H-pyrrole

C10H11N — CID 70150812

IUPACbenzene;2H-pyrrole
SMILESC1=CCN=C1.c1ccccc1
InChIInChI=1S/C6H6.C4H5N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H;1-3H,4H2
InChIKeyAYHJOLXWOWXBKG-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.31
Rot. Bonds

About benzene;2H-pyrrole

benzene;2H-pyrrole (PubChem CID 70150812) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is benzene;2H-pyrrole.

Molecular Properties

Compound Namebenzene;2H-pyrrole
PubChem CID70150812
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Namebenzene;2H-pyrrole
SMILESC1=CCN=C1.c1ccccc1
InChIInChI=1S/C6H6.C4H5N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H;1-3H,4H2
InChIKeyAYHJOLXWOWXBKG-UHFFFAOYSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;2H-pyrrole?
The IUPAC name of benzene;2H-pyrrole (CID 70150812) is benzene;2H-pyrrole.
What is the SMILES notation for benzene;2H-pyrrole?
The canonical SMILES for benzene;2H-pyrrole is C1=CCN=C1.c1ccccc1.
What is the InChIKey of benzene;2H-pyrrole?
The InChIKey is AYHJOLXWOWXBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H5N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-6H;1-3H,4H2.
What are the key properties of benzene;2H-pyrrole?
benzene;2H-pyrrole has a molecular weight of 145.20 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2H-pyrrole is sourced from PubChem (CID 70150812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).