(3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one

C12H20N2O — CID 125141423

IUPAC(3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one
SMILESCCN([C@H]1C=CCCC1)[C@H]1CCNC1=O
InChIInChI=1S/C12H20N2O/c1-2-14(10-6-4-3-5-7-10)11-8-9-13-12(11)15/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyGVHJMRZEPRAVKN-QWRGUYRKSA-N
MW208.30 g/mol
LogP1.31
Rot. Bonds3

About (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one

(3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one (PubChem CID 125141423) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one
PubChem CID125141423
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one
SMILESCCN([C@H]1C=CCCC1)[C@H]1CCNC1=O
InChIInChI=1S/C12H20N2O/c1-2-14(10-6-4-3-5-7-10)11-8-9-13-12(11)15/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyGVHJMRZEPRAVKN-QWRGUYRKSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one (CID 125141423) is (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one is CCN([C@H]1C=CCCC1)[C@H]1CCNC1=O.
What is the InChIKey of (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one?
The InChIKey is GVHJMRZEPRAVKN-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-14(10-6-4-3-5-7-10)11-8-9-13-12(11)15/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one?
(3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1R)-cyclohex-2-en-1-yl]-ethylamino]pyrrolidin-2-one is sourced from PubChem (CID 125141423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).