N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide

C14H24N2O2 — CID 164960563

IUPACN-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide
SMILESC=CC[C@H]1CN(C)C[C@]1(C(=O)CC)N(C)C(C)=O
InChIInChI=1S/C14H24N2O2/c1-6-8-12-9-15(4)10-14(12,13(18)7-2)16(5)11(3)17/h6,12H,1,7-10H2,2-5H3/t12-,14-/m0/s1
InChIKeyBTZJYFBYXYXLHL-JSGCOSHPSA-N
MW252.36 g/mol
LogP1.32
Rot. Bonds5

About N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide

N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide (PubChem CID 164960563) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide
PubChem CID164960563
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide
SMILESC=CC[C@H]1CN(C)C[C@]1(C(=O)CC)N(C)C(C)=O
InChIInChI=1S/C14H24N2O2/c1-6-8-12-9-15(4)10-14(12,13(18)7-2)16(5)11(3)17/h6,12H,1,7-10H2,2-5H3/t12-,14-/m0/s1
InChIKeyBTZJYFBYXYXLHL-JSGCOSHPSA-N
XLogP1.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
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)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide (CID 164960563) is N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide is C=CC[C@H]1CN(C)C[C@]1(C(=O)CC)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide?
The InChIKey is BTZJYFBYXYXLHL-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-8-12-9-15(4)10-14(12,13(18)7-2)16(5)11(3)17/h6,12H,1,7-10H2,2-5H3/t12-,14-/m0/s1.
What are the key properties of N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide?
N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R,4S)-1-methyl-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 164960563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).