propane;3H-pyrrole

C7H13N — CID 91485586

IUPACpropane;3H-pyrrole
SMILESC1=CN=CC1.CCC
InChIInChI=1S/C4H5N.C3H8/c1-2-4-5-3-1;1-3-2/h1,3-4H,2H2;3H2,1-2H3
InChIKeyWJPJQRRULBWHKM-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.39
Rot. Bonds

About propane;3H-pyrrole

propane;3H-pyrrole (PubChem CID 91485586) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is propane;3H-pyrrole.

Molecular Properties

Compound Namepropane;3H-pyrrole
PubChem CID91485586
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Namepropane;3H-pyrrole
SMILESC1=CN=CC1.CCC
InChIInChI=1S/C4H5N.C3H8/c1-2-4-5-3-1;1-3-2/h1,3-4H,2H2;3H2,1-2H3
InChIKeyWJPJQRRULBWHKM-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane;3H-pyrrole?
The IUPAC name of propane;3H-pyrrole (CID 91485586) is propane;3H-pyrrole.
What is the SMILES notation for propane;3H-pyrrole?
The canonical SMILES for propane;3H-pyrrole is C1=CN=CC1.CCC.
What is the InChIKey of propane;3H-pyrrole?
The InChIKey is WJPJQRRULBWHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C3H8/c1-2-4-5-3-1;1-3-2/h1,3-4H,2H2;3H2,1-2H3.
What are the key properties of propane;3H-pyrrole?
propane;3H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;3H-pyrrole is sourced from PubChem (CID 91485586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).