1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one

C15H17NO2 — CID 102940057

IUPAC1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(COCc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-2-15(17)14-8-9-16(10-14)12-18-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3
InChIKeyZRNMQLIMKBRADK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.26
Rot. Bonds6

About 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one

1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one (PubChem CID 102940057) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one
PubChem CID102940057
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(COCc2ccccc2)c1
InChIInChI=1S/C15H17NO2/c1-2-15(17)14-8-9-16(10-14)12-18-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3
InChIKeyZRNMQLIMKBRADK-UHFFFAOYSA-N
XLogP3.26
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67638055
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one
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(1-benzylpyrrol-3-yl)-phenylmethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one?
The IUPAC name of 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one (CID 102940057) is 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one is CCC(=O)c1ccn(COCc2ccccc2)c1.
What is the InChIKey of 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one?
The InChIKey is ZRNMQLIMKBRADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-15(17)14-8-9-16(10-14)12-18-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3.
What are the key properties of 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one?
1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one has a molecular weight of 243.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(phenylmethoxymethyl)pyrrol-3-yl]propan-1-one is sourced from PubChem (CID 102940057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).