2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one

C9H15NO — CID 135183496

IUPAC2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one
SMILESCC(C)C(=O)C1=CCN(C)C1
InChIInChI=1S/C9H15NO/c1-7(2)9(11)8-4-5-10(3)6-8/h4,7H,5-6H2,1-3H3
InChIKeyJBGBGJFHAODBIP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.08
Rot. Bonds2

About 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one

2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one (PubChem CID 135183496) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one
PubChem CID135183496
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one
SMILESCC(C)C(=O)C1=CCN(C)C1
InChIInChI=1S/C9H15NO/c1-7(2)9(11)8-4-5-10(3)6-8/h4,7H,5-6H2,1-3H3
InChIKeyJBGBGJFHAODBIP-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one (CID 135183496) is 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one is CC(C)C(=O)C1=CCN(C)C1.
What is the InChIKey of 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one?
The InChIKey is JBGBGJFHAODBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)9(11)8-4-5-10(3)6-8/h4,7H,5-6H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one?
2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methyl-2,5-dihydropyrrol-3-yl)propan-1-one is sourced from PubChem (CID 135183496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).