methane;2H-pyrrole

C6H13N — CID 160790478

IUPACmethane;2H-pyrrole
SMILESC.C.C1=CCN=C1
InChIInChI=1S/C4H5N.2CH4/c1-2-4-5-3-1;;/h1-3H,4H2;2*1H4
InChIKeySBTOFLJQZWJDQH-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.90
Rot. Bonds

About methane;2H-pyrrole

methane;2H-pyrrole (PubChem CID 160790478) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is methane;2H-pyrrole.

Molecular Properties

Compound Namemethane;2H-pyrrole
PubChem CID160790478
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Namemethane;2H-pyrrole
SMILESC.C.C1=CCN=C1
InChIInChI=1S/C4H5N.2CH4/c1-2-4-5-3-1;;/h1-3H,4H2;2*1H4
InChIKeySBTOFLJQZWJDQH-UHFFFAOYSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;2H-pyrrole?
The IUPAC name of methane;2H-pyrrole (CID 160790478) is methane;2H-pyrrole.
What is the SMILES notation for methane;2H-pyrrole?
The canonical SMILES for methane;2H-pyrrole is C.C.C1=CCN=C1.
What is the InChIKey of methane;2H-pyrrole?
The InChIKey is SBTOFLJQZWJDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2CH4/c1-2-4-5-3-1;;/h1-3H,4H2;2*1H4.
What are the key properties of methane;2H-pyrrole?
methane;2H-pyrrole has a molecular weight of 99.18 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2H-pyrrole is sourced from PubChem (CID 160790478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).