1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione

C11H15NO2 — CID 101072048

IUPAC1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione
SMILESCC(C(=O)C1CC1)C(=O)N1C=CCC1
InChIInChI=1S/C11H15NO2/c1-8(10(13)9-4-5-9)11(14)12-6-2-3-7-12/h2,6,8-9H,3-5,7H2,1H3
InChIKeyIOVBBNFKWVSEGE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.35
Rot. Bonds3

About 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione

1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione (PubChem CID 101072048) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione
PubChem CID101072048
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione
SMILESCC(C(=O)C1CC1)C(=O)N1C=CCC1
InChIInChI=1S/C11H15NO2/c1-8(10(13)9-4-5-9)11(14)12-6-2-3-7-12/h2,6,8-9H,3-5,7H2,1H3
InChIKeyIOVBBNFKWVSEGE-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione
CID 10037813
(2R)-1-(2,3-dihydropyrrol-1-yl)-2-methyldecane-1,3-dione
CID 162898578
1-(2,3-Dihydropyrrol-1-yl)-3,5-dimethylhexan-1-one
CID 123668602

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione?
The IUPAC name of 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione (CID 101072048) is 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione?
The canonical SMILES for 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione is CC(C(=O)C1CC1)C(=O)N1C=CCC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione?
The InChIKey is IOVBBNFKWVSEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(10(13)9-4-5-9)11(14)12-6-2-3-7-12/h2,6,8-9H,3-5,7H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione?
1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione has a molecular weight of 193.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-dihydropyrrol-1-yl)-2-methylpropane-1,3-dione is sourced from PubChem (CID 101072048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).