[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone

C11H18ClNO — CID 102786836

IUPAC[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone
SMILESCC1CCN(C(=O)C2CCC2)C1CCl
InChIInChI=1S/C11H18ClNO/c1-8-5-6-13(10(8)7-12)11(14)9-3-2-4-9/h8-10H,2-7H2,1H3
InChIKeySMNGVEFOCRFGBN-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.26
Rot. Bonds2

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

[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 102786836) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID102786836
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone
SMILESCC1CCN(C(=O)C2CCC2)C1CCl
InChIInChI=1S/C11H18ClNO/c1-8-5-6-13(10(8)7-12)11(14)9-3-2-4-9/h8-10H,2-7H2,1H3
InChIKeySMNGVEFOCRFGBN-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 130944377
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 102737904
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]dodecan-1-one
CID 102787238
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-phenylmethanone
CID 102786620
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107100299
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
CID 102783465
1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 102786570
cyclobutyl-(3-hydroxy-2-methylpiperidin-1-yl)methanone
CID 127015560
[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147083
[(1R,3R)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147082

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone (CID 102786836) is [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone is CC1CCN(C(=O)C2CCC2)C1CCl.
What is the InChIKey of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is SMNGVEFOCRFGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-8-5-6-13(10(8)7-12)11(14)9-3-2-4-9/h8-10H,2-7H2,1H3.
What are the key properties of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone?
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 215.72 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 102786836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).