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

C17H22ClNO — CID 63395719

IUPAC[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCC1CCCCl)C1(c2ccccc2)CC1
InChIInChI=1S/C17H22ClNO/c18-12-4-8-15-9-5-13-19(15)16(20)17(10-11-17)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyMQDBYJCOUAPSBU-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.73
Rot. Bonds5

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

[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 63395719) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is [2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID63395719
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCC1CCCCl)C1(c2ccccc2)CC1
InChIInChI=1S/C17H22ClNO/c18-12-4-8-15-9-5-13-19(15)16(20)17(10-11-17)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyMQDBYJCOUAPSBU-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.73
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-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
[1-(4-chlorophenyl)cyclopropyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 11695010
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63396407
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 66394444
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 102787129

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 63395719) is [2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCCC1CCCCl)C1(c2ccccc2)CC1.
What is the InChIKey of [2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is MQDBYJCOUAPSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-12-4-8-15-9-5-13-19(15)16(20)17(10-11-17)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2.
What are the key properties of [2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 291.82 g/mol, XLogP of 3.73, 5 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]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 63395719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).