4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide

C12H22N2O2 — CID 115753468

IUPAC4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide
SMILESC=CCCCN(C)C(=O)C1CC(OC)CN1
InChIInChI=1S/C12H22N2O2/c1-4-5-6-7-14(2)12(15)11-8-10(16-3)9-13-11/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeyVDYJMHFADROTQW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds6

About 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide

4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide (PubChem CID 115753468) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide
PubChem CID115753468
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide
SMILESC=CCCCN(C)C(=O)C1CC(OC)CN1
InChIInChI=1S/C12H22N2O2/c1-4-5-6-7-14(2)12(15)11-8-10(16-3)9-13-11/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeyVDYJMHFADROTQW-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide (CID 115753468) is 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide is C=CCCCN(C)C(=O)C1CC(OC)CN1.
What is the InChIKey of 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide?
The InChIKey is VDYJMHFADROTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-6-7-14(2)12(15)11-8-10(16-3)9-13-11/h4,10-11,13H,1,5-9H2,2-3H3.
What are the key properties of 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide?
4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115753468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).