N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide

C17H28N2O2 — CID 123905066

IUPACN-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCCC=CC1CC1NC(=O)C1CCCN1C(=O)CC(C)C
InChIInChI=1S/C17H28N2O2/c1-4-5-7-13-11-14(13)18-17(21)15-8-6-9-19(15)16(20)10-12(2)3/h5,7,12-15H,4,6,8-11H2,1-3H3,(H,18,21)
InChIKeyWIELUYKGPCCAGZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.49
Rot. Bonds6

About N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide

N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (PubChem CID 123905066) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
PubChem CID123905066
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCCC=CC1CC1NC(=O)C1CCCN1C(=O)CC(C)C
InChIInChI=1S/C17H28N2O2/c1-4-5-7-13-11-14(13)18-17(21)15-8-6-9-19(15)16(20)10-12(2)3/h5,7,12-15H,4,6,8-11H2,1-3H3,(H,18,21)
InChIKeyWIELUYKGPCCAGZ-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.49
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 N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (CID 123905066) is N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is CCC=CC1CC1NC(=O)C1CCCN1C(=O)CC(C)C.
What is the InChIKey of N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is WIELUYKGPCCAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-7-13-11-14(13)18-17(21)15-8-6-9-19(15)16(20)10-12(2)3/h5,7,12-15H,4,6,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-1-enylcyclopropyl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123905066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).