[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

C12H20ClNO — CID 63396360

IUPAC[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCCC1CCCCl
InChIInChI=1S/C12H20ClNO/c1-9-8-11(9)12(15)14-7-3-5-10(14)4-2-6-13/h9-11H,2-8H2,1H3
InChIKeyDDFSXQSJMGZJFW-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.65
Rot. Bonds4

About [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 63396360) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID63396360
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1CCCC1CCCCl
InChIInChI=1S/C12H20ClNO/c1-9-8-11(9)12(15)14-7-3-5-10(14)4-2-6-13/h9-11H,2-8H2,1H3
InChIKeyDDFSXQSJMGZJFW-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.65
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

(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130685547
[2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622730
tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374
[2-(3-chloropropyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 55185740
2-(3-chloropropyl)piperidine-1-carboxylic acid
CID 68868477
1-[2-(3-chloropropyl)pyrrolidin-1-yl]hexan-1-one
CID 63395936
[2-(3-chloropropyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922712
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 63396194
(2-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone
CID 123276609
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 63396449
(4-tert-butylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 63396240
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 66394444

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (CID 63396360) is [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1CCCC1CCCCl.
What is the InChIKey of [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is DDFSXQSJMGZJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-9-8-11(9)12(15)14-7-3-5-10(14)4-2-6-13/h9-11H,2-8H2,1H3.
What are the key properties of [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 229.75 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 63396360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).