N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide

C13H22N2O2 — CID 152933950

IUPACN-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide
SMILESC=CC[C@H]1CNC[C@]1(C(=O)CC)N(C)C(C)=O
InChIInChI=1S/C13H22N2O2/c1-5-7-11-8-14-9-13(11,12(17)6-2)15(4)10(3)16/h5,11,14H,1,6-9H2,2-4H3/t11-,13-/m0/s1
InChIKeyULMXMZDSROTKCR-AAEUAGOBSA-N
MW238.33 g/mol
LogP0.98
Rot. Bonds5

About N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide

N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide (PubChem CID 152933950) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide
PubChem CID152933950
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide
SMILESC=CC[C@H]1CNC[C@]1(C(=O)CC)N(C)C(C)=O
InChIInChI=1S/C13H22N2O2/c1-5-7-11-8-14-9-13(11,12(17)6-2)15(4)10(3)16/h5,11,14H,1,6-9H2,2-4H3/t11-,13-/m0/s1
InChIKeyULMXMZDSROTKCR-AAEUAGOBSA-N
XLogP0.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide (CID 152933950) is N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide is C=CC[C@H]1CNC[C@]1(C(=O)CC)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide?
The InChIKey is ULMXMZDSROTKCR-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-7-11-8-14-9-13(11,12(17)6-2)15(4)10(3)16/h5,11,14H,1,6-9H2,2-4H3/t11-,13-/m0/s1.
What are the key properties of N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide?
N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 152933950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).