N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide

C11H20N2O — CID 106187316

IUPACN-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)=CCNC(=O)CC1CCCN1
InChIInChI=1S/C11H20N2O/c1-9(2)5-7-13-11(14)8-10-4-3-6-12-10/h5,10,12H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeyLECWTXQKCQXUGE-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.21
Rot. Bonds4

About N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide

N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 106187316) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide
PubChem CID106187316
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)=CCNC(=O)CC1CCCN1
InChIInChI=1S/C11H20N2O/c1-9(2)5-7-13-11(14)8-10-4-3-6-12-10/h5,10,12H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeyLECWTXQKCQXUGE-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
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 N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide (CID 106187316) is N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide is CC(C)=CCNC(=O)CC1CCCN1.
What is the InChIKey of N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is LECWTXQKCQXUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)5-7-13-11(14)8-10-4-3-6-12-10/h5,10,12H,3-4,6-8H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide?
N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 196.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 106187316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).