2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide

C13H18N2O2 — CID 113475228

IUPAC2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(NC1CC=CC1)C(=O)NCc1ccco1
InChIInChI=1S/C13H18N2O2/c1-10(15-11-5-2-3-6-11)13(16)14-9-12-7-4-8-17-12/h2-4,7-8,10-11,15H,5-6,9H2,1H3,(H,14,16)
InChIKeyBJSXYLHHNYJSRA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.59
Rot. Bonds5

About 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide

2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 113475228) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
PubChem CID113475228
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(NC1CC=CC1)C(=O)NCc1ccco1
InChIInChI=1S/C13H18N2O2/c1-10(15-11-5-2-3-6-11)13(16)14-9-12-7-4-8-17-12/h2-4,7-8,10-11,15H,5-6,9H2,1H3,(H,14,16)
InChIKeyBJSXYLHHNYJSRA-UHFFFAOYSA-N
XLogP1.59
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide
CID 80712559
2-[(4-ethylcyclohexyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61469898
tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 100662508
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide (CID 113475228) is 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide is CC(NC1CC=CC1)C(=O)NCc1ccco1.
What is the InChIKey of 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BJSXYLHHNYJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(15-11-5-2-3-6-11)13(16)14-9-12-7-4-8-17-12/h2-4,7-8,10-11,15H,5-6,9H2,1H3,(H,14,16).
What are the key properties of 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide?
2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 113475228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).