benzene;methane;1H-pyrrole

C11H15N — CID 174843478

IUPACbenzene;methane;1H-pyrrole
SMILESC.c1cc[nH]c1.c1ccccc1
InChIInChI=1S/C6H6.C4H5N.CH4/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-6H;1-5H;1H4
InChIKeyRDOWLEMJTUTMSG-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.34
Rot. Bonds

About benzene;methane;1H-pyrrole

benzene;methane;1H-pyrrole (PubChem CID 174843478) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is benzene;methane;1H-pyrrole.

Molecular Properties

Compound Namebenzene;methane;1H-pyrrole
PubChem CID174843478
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Namebenzene;methane;1H-pyrrole
SMILESC.c1cc[nH]c1.c1ccccc1
InChIInChI=1S/C6H6.C4H5N.CH4/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-6H;1-5H;1H4
InChIKeyRDOWLEMJTUTMSG-UHFFFAOYSA-N
XLogP3.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;methane;1H-pyrrole?
The IUPAC name of benzene;methane;1H-pyrrole (CID 174843478) is benzene;methane;1H-pyrrole.
What is the SMILES notation for benzene;methane;1H-pyrrole?
The canonical SMILES for benzene;methane;1H-pyrrole is C.c1cc[nH]c1.c1ccccc1.
What is the InChIKey of benzene;methane;1H-pyrrole?
The InChIKey is RDOWLEMJTUTMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H5N.CH4/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-6H;1-5H;1H4.
What are the key properties of benzene;methane;1H-pyrrole?
benzene;methane;1H-pyrrole has a molecular weight of 161.25 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methane;1H-pyrrole is sourced from PubChem (CID 174843478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).