1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone

C15H16ClNO2 — CID 102787419

IUPAC1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2cc3ccccc3o2)C1CCl
InChIInChI=1S/C15H16ClNO2/c1-10-6-7-17(12(10)9-16)15(18)14-8-11-4-2-3-5-13(11)19-14/h2-5,8,10,12H,6-7,9H2,1H3
InChIKeyHKNSOIXIWNXRJA-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.52
Rot. Bonds2

About 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone

1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102787419) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102787419
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2cc3ccccc3o2)C1CCl
InChIInChI=1S/C15H16ClNO2/c1-10-6-7-17(12(10)9-16)15(18)14-8-11-4-2-3-5-13(11)19-14/h2-5,8,10,12H,6-7,9H2,1H3
InChIKeyHKNSOIXIWNXRJA-UHFFFAOYSA-N
XLogP3.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363980
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-phenylmethanone
CID 102786620
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-(1-benzofuran-2-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102782504
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone
CID 80504331
1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569223
1-[4-(1-benzofuran-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]prop-2-en-1-one
CID 172889664
1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210335
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 102786787
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 102786618

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102787419) is 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)c2cc3ccccc3o2)C1CCl.
What is the InChIKey of 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is HKNSOIXIWNXRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-6-7-17(12(10)9-16)15(18)14-8-11-4-2-3-5-13(11)19-14/h2-5,8,10,12H,6-7,9H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone?
1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 277.75 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102787419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).