propane;2H-pyrrole

C7H13N — CID 143497110

IUPACpropane;2H-pyrrole
SMILESC1=CCN=C1.CCC
InChIInChI=1S/C4H5N.C3H8/c1-2-4-5-3-1;1-3-2/h1-3H,4H2;3H2,1-2H3
InChIKeyDXPRBDLNROQBCS-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds

About propane;2H-pyrrole

propane;2H-pyrrole (PubChem CID 143497110) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is propane;2H-pyrrole.

Molecular Properties

Compound Namepropane;2H-pyrrole
PubChem CID143497110
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namepropane;2H-pyrrole
SMILESC1=CCN=C1.CCC
InChIInChI=1S/C4H5N.C3H8/c1-2-4-5-3-1;1-3-2/h1-3H,4H2;3H2,1-2H3
InChIKeyDXPRBDLNROQBCS-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane;2H-pyrrole?
The IUPAC name of propane;2H-pyrrole (CID 143497110) is propane;2H-pyrrole.
What is the SMILES notation for propane;2H-pyrrole?
The canonical SMILES for propane;2H-pyrrole is C1=CCN=C1.CCC.
What is the InChIKey of propane;2H-pyrrole?
The InChIKey is DXPRBDLNROQBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C3H8/c1-2-4-5-3-1;1-3-2/h1-3H,4H2;3H2,1-2H3.
What are the key properties of propane;2H-pyrrole?
propane;2H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2H-pyrrole is sourced from PubChem (CID 143497110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).