2-(aziridine-1-carbonyl)furan-3-carboxamide

C8H8N2O3 — CID 130238345

IUPAC2-(aziridine-1-carbonyl)furan-3-carboxamide
SMILESNC(=O)c1ccoc1C(=O)N1CC1
InChIInChI=1S/C8H8N2O3/c9-7(11)5-1-4-13-6(5)8(12)10-2-3-10/h1,4H,2-3H2,(H2,9,11)
InChIKeyXLLUJLOZGFYPGI-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.17
Rot. Bonds2

About 2-(aziridine-1-carbonyl)furan-3-carboxamide

2-(aziridine-1-carbonyl)furan-3-carboxamide (PubChem CID 130238345) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(aziridine-1-carbonyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-(aziridine-1-carbonyl)furan-3-carboxamide
PubChem CID130238345
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-(aziridine-1-carbonyl)furan-3-carboxamide
SMILESNC(=O)c1ccoc1C(=O)N1CC1
InChIInChI=1S/C8H8N2O3/c9-7(11)5-1-4-13-6(5)8(12)10-2-3-10/h1,4H,2-3H2,(H2,9,11)
InChIKeyXLLUJLOZGFYPGI-UHFFFAOYSA-N
XLogP-0.17
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dihydropyrrole-1-carbonyl)furan-3-carboxylic acid
CID 131003233
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
ethyl 3-carbamoylfuran-2-carboxylate
CID 24973056
[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63337657
2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 106855786
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide
CID 79674751
[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 47024563

Frequently Asked Questions

What is the IUPAC name of 2-(aziridine-1-carbonyl)furan-3-carboxamide?
The IUPAC name of 2-(aziridine-1-carbonyl)furan-3-carboxamide (CID 130238345) is 2-(aziridine-1-carbonyl)furan-3-carboxamide.
What is the SMILES notation for 2-(aziridine-1-carbonyl)furan-3-carboxamide?
The canonical SMILES for 2-(aziridine-1-carbonyl)furan-3-carboxamide is NC(=O)c1ccoc1C(=O)N1CC1.
What is the InChIKey of 2-(aziridine-1-carbonyl)furan-3-carboxamide?
The InChIKey is XLLUJLOZGFYPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-7(11)5-1-4-13-6(5)8(12)10-2-3-10/h1,4H,2-3H2,(H2,9,11).
What are the key properties of 2-(aziridine-1-carbonyl)furan-3-carboxamide?
2-(aziridine-1-carbonyl)furan-3-carboxamide has a molecular weight of 180.16 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridine-1-carbonyl)furan-3-carboxamide is sourced from PubChem (CID 130238345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).