[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone

C11H18ClNO — CID 107003183

IUPAC[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCCC1CCl
InChIInChI=1S/C11H18ClNO/c1-11(2)6-9(11)10(14)13-5-3-4-8(13)7-12/h8-9H,3-7H2,1-2H3
InChIKeySZHGNWLAEYKNFX-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.26
Rot. Bonds2

About [2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone

[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107003183) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is [2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
PubChem CID107003183
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCCC1CCl
InChIInChI=1S/C11H18ClNO/c1-11(2)6-9(11)10(14)13-5-3-4-8(13)7-12/h8-9H,3-7H2,1-2H3
InChIKeySZHGNWLAEYKNFX-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

[(2S)-2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 164648318
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107003212
(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103915216
1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622
(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107000362
[2-(chloromethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595569
1-[2-(chloromethyl)pyrrolidin-1-yl]propan-1-one
CID 63394674
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
3-bicyclo[3.1.0]hexanyl-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]methanone
CID 164655881
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183977
1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 107178848
[2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81327806

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of [2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone (CID 107003183) is [2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for [2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for [2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)N1CCCC1CCl.
What is the InChIKey of [2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is SZHGNWLAEYKNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-11(2)6-9(11)10(14)13-5-3-4-8(13)7-12/h8-9H,3-7H2,1-2H3.
What are the key properties of [2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
[2-(chloromethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone 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)pyrrolidin-1-yl]-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107003183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).