5-propan-2-yl-4-propyl-2H-pyrrole

C10H17N — CID 139308368

IUPAC5-propan-2-yl-4-propyl-2H-pyrrole
SMILESCCCC1=CCN=C1C(C)C
InChIInChI=1S/C10H17N/c1-4-5-9-6-7-11-10(9)8(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyXOYUXDSBIKSALZ-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds3

About 5-propan-2-yl-4-propyl-2H-pyrrole

5-propan-2-yl-4-propyl-2H-pyrrole (PubChem CID 139308368) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-propan-2-yl-4-propyl-2H-pyrrole.

Molecular Properties

Compound Name5-propan-2-yl-4-propyl-2H-pyrrole
PubChem CID139308368
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-propan-2-yl-4-propyl-2H-pyrrole
SMILESCCCC1=CCN=C1C(C)C
InChIInChI=1S/C10H17N/c1-4-5-9-6-7-11-10(9)8(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyXOYUXDSBIKSALZ-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-propyl-2H-pyrrole?
The IUPAC name of 5-propan-2-yl-4-propyl-2H-pyrrole (CID 139308368) is 5-propan-2-yl-4-propyl-2H-pyrrole.
What is the SMILES notation for 5-propan-2-yl-4-propyl-2H-pyrrole?
The canonical SMILES for 5-propan-2-yl-4-propyl-2H-pyrrole is CCCC1=CCN=C1C(C)C.
What is the InChIKey of 5-propan-2-yl-4-propyl-2H-pyrrole?
The InChIKey is XOYUXDSBIKSALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-9-6-7-11-10(9)8(2)3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-propan-2-yl-4-propyl-2H-pyrrole?
5-propan-2-yl-4-propyl-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-propyl-2H-pyrrole is sourced from PubChem (CID 139308368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).