N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide

C13H18N2O2 — CID 4677844

IUPACN-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
SMILESCc1ccc(CN2CC2C(=O)NC2CCC2)o1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-11(17-9)7-15-8-12(15)13(16)14-10-3-2-4-10/h5-6,10,12H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyOCXBCFUMGDNDEI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.44
Rot. Bonds4

About N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide

N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide (PubChem CID 4677844) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
PubChem CID4677844
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
SMILESCc1ccc(CN2CC2C(=O)NC2CCC2)o1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-11(17-9)7-15-8-12(15)13(16)14-10-3-2-4-10/h5-6,10,12H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyOCXBCFUMGDNDEI-UHFFFAOYSA-N
XLogP1.44
TPSA45.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 3445666
(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739460
(3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
CID 97459261
methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate
CID 112581410
1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide
CID 3496264
4-hydroxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351529
1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 62525249
(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 131955290
(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 95739154
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 130718603
(2S,4S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyrrolidine-2-carboxamide
CID 72861062

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide?
The IUPAC name of N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide (CID 4677844) is N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide is Cc1ccc(CN2CC2C(=O)NC2CCC2)o1.
What is the InChIKey of N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide?
The InChIKey is OCXBCFUMGDNDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-6-11(17-9)7-15-8-12(15)13(16)14-10-3-2-4-10/h5-6,10,12H,2-4,7-8H2,1H3,(H,14,16).
What are the key properties of N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide?
N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide is sourced from PubChem (CID 4677844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).