4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one

C10H15NO — CID 160635778

IUPAC4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one
SMILESCC(C)CC(=O)CC1=CCC=N1
InChIInChI=1S/C10H15NO/c1-8(2)6-10(12)7-9-4-3-5-11-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRINCNMZCLOJNKA-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.35
Rot. Bonds4

About 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one

4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one (PubChem CID 160635778) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one
PubChem CID160635778
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one
SMILESCC(C)CC(=O)CC1=CCC=N1
InChIInChI=1S/C10H15NO/c1-8(2)6-10(12)7-9-4-3-5-11-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRINCNMZCLOJNKA-UHFFFAOYSA-N
XLogP2.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one?
The IUPAC name of 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one (CID 160635778) is 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one.
What is the SMILES notation for 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one?
The canonical SMILES for 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one is CC(C)CC(=O)CC1=CCC=N1.
What is the InChIKey of 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one?
The InChIKey is RINCNMZCLOJNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)6-10(12)7-9-4-3-5-11-9/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one?
4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3H-pyrrol-5-yl)pentan-2-one is sourced from PubChem (CID 160635778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).