cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C12H20N2O — CID 115316381

IUPACcyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)C1CC=CC1
InChIInChI=1S/C12H20N2O/c1-13-9-11-7-4-8-14(11)12(15)10-5-2-3-6-10/h2-3,10-11,13H,4-9H2,1H3
InChIKeySZGKZWNIPQRTQZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.16
Rot. Bonds3

About cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone

cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 115316381) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID115316381
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Namecyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCCN1C(=O)C1CC=CC1
InChIInChI=1S/C12H20N2O/c1-13-9-11-7-4-8-14(11)12(15)10-5-2-3-6-10/h2-3,10-11,13H,4-9H2,1H3
InChIKeySZGKZWNIPQRTQZ-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649432
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 119261296
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127304
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249081
N-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]cyclopentanecarboxamide
CID 119651183
[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856232
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119261277
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119650863

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 115316381) is cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCCN1C(=O)C1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SZGKZWNIPQRTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-9-11-7-4-8-14(11)12(15)10-5-2-3-6-10/h2-3,10-11,13H,4-9H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 208.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115316381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).