2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole

C10H17N — CID 134238156

IUPAC2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
SMILESCC(C)=C1CCC(C(C)C)=N1
InChIInChI=1S/C10H17N/c1-7(2)9-5-6-10(11-9)8(3)4/h7H,5-6H2,1-4H3
InChIKeyLIQVOXQYUSLRMC-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds1

About 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole

2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole (PubChem CID 134238156) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole.

Molecular Properties

Compound Name2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
PubChem CID134238156
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
SMILESCC(C)=C1CCC(C(C)C)=N1
InChIInChI=1S/C10H17N/c1-7(2)9-5-6-10(11-9)8(3)4/h7H,5-6H2,1-4H3
InChIKeyLIQVOXQYUSLRMC-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole?
The IUPAC name of 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole (CID 134238156) is 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole.
What is the SMILES notation for 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole?
The canonical SMILES for 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole is CC(C)=C1CCC(C(C)C)=N1.
What is the InChIKey of 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole?
The InChIKey is LIQVOXQYUSLRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9-5-6-10(11-9)8(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole?
2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole is sourced from PubChem (CID 134238156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).