(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide

C11H18N2O — CID 122372186

IUPAC(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1[C@H]1C=CCCC1
InChIInChI=1S/C11H18N2O/c12-11(14)10-7-4-8-13(10)9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2,(H2,12,14)/t9-,10-/m0/s1
InChIKeyNUOAMYCQMRIDSO-UWVGGRQHSA-N
MW194.28 g/mol
LogP1.04
Rot. Bonds2

About (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide

(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide (PubChem CID 122372186) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide
PubChem CID122372186
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1[C@H]1C=CCCC1
InChIInChI=1S/C11H18N2O/c12-11(14)10-7-4-8-13(10)9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2,(H2,12,14)/t9-,10-/m0/s1
InChIKeyNUOAMYCQMRIDSO-UWVGGRQHSA-N
XLogP1.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.04
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 (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide (CID 122372186) is (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1[C@H]1C=CCCC1.
What is the InChIKey of (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide?
The InChIKey is NUOAMYCQMRIDSO-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N2O/c12-11(14)10-7-4-8-13(10)9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2,(H2,12,14)/t9-,10-/m0/s1.
What are the key properties of (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide?
(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122372186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).