1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one

C14H15NO — CID 101407091

IUPAC1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one
SMILESCn1cccc1C(=O)CCc1ccccc1
InChIInChI=1S/C14H15NO/c1-15-11-5-8-13(15)14(16)10-9-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3
InChIKeyVXALXSRNDIXCHP-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.84
Rot. Bonds4

About 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one

1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one (PubChem CID 101407091) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one
PubChem CID101407091
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one
SMILESCn1cccc1C(=O)CCc1ccccc1
InChIInChI=1S/C14H15NO/c1-15-11-5-8-13(15)14(16)10-9-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3
InChIKeyVXALXSRNDIXCHP-UHFFFAOYSA-N
XLogP2.84
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one (CID 101407091) is 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one is Cn1cccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one?
The InChIKey is VXALXSRNDIXCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-11-5-8-13(15)14(16)10-9-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one?
1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one has a molecular weight of 213.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 101407091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).