1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one

C15H23NO — CID 10704810

IUPAC1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1=NCCC1C1=CCCCC1
InChIInChI=1S/C15H23NO/c1-15(2,3)14(17)13-12(9-10-16-13)11-7-5-4-6-8-11/h7,12H,4-6,8-10H2,1-3H3
InChIKeyKRJGAXQVKGNOEZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.56
Rot. Bonds2

About 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one

1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 10704810) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one
PubChem CID10704810
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1=NCCC1C1=CCCCC1
InChIInChI=1S/C15H23NO/c1-15(2,3)14(17)13-12(9-10-16-13)11-7-5-4-6-8-11/h7,12H,4-6,8-10H2,1-3H3
InChIKeyKRJGAXQVKGNOEZ-UHFFFAOYSA-N
XLogP3.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one (CID 10704810) is 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1=NCCC1C1=CCCCC1.
What is the InChIKey of 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KRJGAXQVKGNOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)14(17)13-12(9-10-16-13)11-7-5-4-6-8-11/h7,12H,4-6,8-10H2,1-3H3.
What are the key properties of 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one?
1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexen-1-yl)-3,4-dihydro-2H-pyrrol-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 10704810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).