3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole

C11H17N — CID 167097241

IUPAC3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole
SMILESCC1=C(C2CC2)CN=C1C(C)C
InChIInChI=1S/C11H17N/c1-7(2)11-8(3)10(6-12-11)9-4-5-9/h7,9H,4-6H2,1-3H3
InChIKeyWLXLRNKXTQVVAH-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds2

About 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole

3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole (PubChem CID 167097241) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole
PubChem CID167097241
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole
SMILESCC1=C(C2CC2)CN=C1C(C)C
InChIInChI=1S/C11H17N/c1-7(2)11-8(3)10(6-12-11)9-4-5-9/h7,9H,4-6H2,1-3H3
InChIKeyWLXLRNKXTQVVAH-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-5-cyclopropyl-4-fluoro-2H-pyrrole
CID 147086642
5-tert-butyl-3-cyclopropyl-4-fluoro-2H-pyrrole
CID 157262178
4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
3,5-dimethyl-4-propan-2-yl-2H-pyrrole
CID 59693681
(6R)-3,4,5-trimethyl-2-azabicyclo[4.1.0]hepta-2,4-diene
CID 68361521
(2E)-2-(1-cyclopropylethylidene)-N-ethylcyclopentan-1-imine
CID 88992463
2,3,4-trimethyl-5-propan-2-yl-2H-pyrrole
CID 89517655
3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole
CID 91186555
5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole
CID 118344870
3,5-diethyl-4-propan-2-yl-2H-pyrrole
CID 118344871
3,5-dimethyl-4-(2-methylpropyl)-2H-pyrrole
CID 118424970
4-tert-butyl-3-cyclopropyl-5-methyl-2H-pyrrole
CID 118941247

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole?
The IUPAC name of 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole (CID 167097241) is 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole?
The canonical SMILES for 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole is CC1=C(C2CC2)CN=C1C(C)C.
What is the InChIKey of 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole?
The InChIKey is WLXLRNKXTQVVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-7(2)11-8(3)10(6-12-11)9-4-5-9/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole?
3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methyl-5-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 167097241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).