3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole

C13H21N — CID 166937927

IUPAC3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole
SMILESCC(C)C1=NCC(C2CC2)=C1C(C)C
InChIInChI=1S/C13H21N/c1-8(2)12-11(10-5-6-10)7-14-13(12)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyFYSXXZPOIIIJQZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.46
Rot. Bonds3

About 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole

3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole (PubChem CID 166937927) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole.

Molecular Properties

Compound Name3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole
PubChem CID166937927
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole
SMILESCC(C)C1=NCC(C2CC2)=C1C(C)C
InChIInChI=1S/C13H21N/c1-8(2)12-11(10-5-6-10)7-14-13(12)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyFYSXXZPOIIIJQZ-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene
CID 171848934
4,6-dimethyl-5-propan-2-yl-2,3-dihydropyridine
CID 123661159
2-[2-cyclohexyl-4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
CID 23295306
(2-cyclopropylcyclopropen-1-yl)-trimethylsilane
CID 14436146
1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
CID 158307819
5-propan-2-yl-7H-1,6-naphthyridin-8-one
CID 134285631
4,5-di(propan-2-yl)imidazole-2-thione
CID 174158654
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
CID 136548145
2-(2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl)ethanol;dihydrochloride
CID 66718047
5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
CID 61337311
chloro-dimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane
CID 91246606
2-cyclopropyl-4-methoxy-6-propan-2-ylpyrimidine
CID 139361220

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole?
The IUPAC name of 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole (CID 166937927) is 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole.
What is the SMILES notation for 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole?
The canonical SMILES for 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole is CC(C)C1=NCC(C2CC2)=C1C(C)C.
What is the InChIKey of 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole?
The InChIKey is FYSXXZPOIIIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-8(2)12-11(10-5-6-10)7-14-13(12)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole?
3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole has a molecular weight of 191.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole is sourced from PubChem (CID 166937927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).