cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone

C9H13NO — CID 83963276

IUPACcyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
SMILESO=C(C1=NCCC1)C1CCC1
InChIInChI=1S/C9H13NO/c11-9(7-3-1-4-7)8-5-2-6-10-8/h7H,1-6H2
InChIKeyUPBGDTBAEAHWBE-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.59
Rot. Bonds2

About cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone

cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone (PubChem CID 83963276) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
PubChem CID83963276
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Namecyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
SMILESO=C(C1=NCCC1)C1CCC1
InChIInChI=1S/C9H13NO/c11-9(7-3-1-4-7)8-5-2-6-10-8/h7H,1-6H2
InChIKeyUPBGDTBAEAHWBE-UHFFFAOYSA-N
XLogP1.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone
CID 67320697
2-Azabicyclo[6.2.0]dec-1-en-7-one
CID 91255714
2,7-dimethyl-1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)decane-1,8-dione
CID 91381379
2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone
CID 123508346
3-Ethyl-7-methyl-2,3,5,6-tetrahydroazepin-4-one
CID 123754368
9-Ethyl-7-methyl-2,3,4,5,7,8-hexahydroazonin-6-one
CID 164085990
Ethanone, 1-[3,4-dihydro-5-(1-methylethyl)-2H-pyrrol-3-yl]-(9CI)
CID 13802413
4-(5-methyl-3,4-dihydro-2H-pyrrol-4-yl)butan-2-one
CID 14081806
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylpropan-1-one
CID 83963273
cyclopentyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
CID 83963277
cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
CID 83963278
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbutan-1-one
CID 83963279

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone?
The IUPAC name of cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone (CID 83963276) is cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone.
What is the SMILES notation for cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone?
The canonical SMILES for cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone is O=C(C1=NCCC1)C1CCC1.
What is the InChIKey of cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone?
The InChIKey is UPBGDTBAEAHWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9(7-3-1-4-7)8-5-2-6-10-8/h7H,1-6H2.
What are the key properties of cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone?
cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone has a molecular weight of 151.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone is sourced from PubChem (CID 83963276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).