2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one

C13H19NO — CID 83154763

IUPAC2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
SMILESCc1[nH]c(C(=O)C(C)C2CC2)c(C)c1C
InChIInChI=1S/C13H19NO/c1-7-8(2)12(14-10(7)4)13(15)9(3)11-5-6-11/h9,11,14H,5-6H2,1-4H3
InChIKeyQIDBWJNCEFMENY-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.17
Rot. Bonds3

About 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one

2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one (PubChem CID 83154763) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
PubChem CID83154763
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
SMILESCc1[nH]c(C(=O)C(C)C2CC2)c(C)c1C
InChIInChI=1S/C13H19NO/c1-7-8(2)12(14-10(7)4)13(15)9(3)11-5-6-11/h9,11,14H,5-6H2,1-4H3
InChIKeyQIDBWJNCEFMENY-UHFFFAOYSA-N
XLogP3.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one (CID 83154763) is 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one is Cc1[nH]c(C(=O)C(C)C2CC2)c(C)c1C.
What is the InChIKey of 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one?
The InChIKey is QIDBWJNCEFMENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-7-8(2)12(14-10(7)4)13(15)9(3)11-5-6-11/h9,11,14H,5-6H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one?
2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one has a molecular weight of 205.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 83154763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).