N-(furan-3-ylcarbamoyl)prop-2-enamide

C8H8N2O3 — CID 59502651

IUPACN-(furan-3-ylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)Nc1ccoc1
InChIInChI=1S/C8H8N2O3/c1-2-7(11)10-8(12)9-6-3-4-13-5-6/h2-5H,1H2,(H2,9,10,11,12)
InChIKeyPTXWBSJLEPHSEX-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.11
Rot. Bonds2

About N-(furan-3-ylcarbamoyl)prop-2-enamide

N-(furan-3-ylcarbamoyl)prop-2-enamide (PubChem CID 59502651) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is N-(furan-3-ylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound NameN-(furan-3-ylcarbamoyl)prop-2-enamide
PubChem CID59502651
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC NameN-(furan-3-ylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)Nc1ccoc1
InChIInChI=1S/C8H8N2O3/c1-2-7(11)10-8(12)9-6-3-4-13-5-6/h2-5H,1H2,(H2,9,10,11,12)
InChIKeyPTXWBSJLEPHSEX-UHFFFAOYSA-N
XLogP1.11
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(furan-3-yl)carbamate
CID 12207186
3-Acetamidofuran
CID 521882
3-Furylurea
CID 101076529
1-(Furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 23326919
3-(Furan-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 53990180
3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 54345271
5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione
CID 66697579
5-Fluoro-1-(furan-3-yl)pyrimidine-2,4-dione
CID 69626237
N-(furan-3-yl)pent-4-enamide
CID 11105709
methyl N-(furan-3-yl)carbamate
CID 12963185
ethyl N-(furan-3-yl)carbamate
CID 13742101
N-(furan-3-yl)furan-3-amine
CID 17932953

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylcarbamoyl)prop-2-enamide?
The IUPAC name of N-(furan-3-ylcarbamoyl)prop-2-enamide (CID 59502651) is N-(furan-3-ylcarbamoyl)prop-2-enamide.
What is the SMILES notation for N-(furan-3-ylcarbamoyl)prop-2-enamide?
The canonical SMILES for N-(furan-3-ylcarbamoyl)prop-2-enamide is C=CC(=O)NC(=O)Nc1ccoc1.
What is the InChIKey of N-(furan-3-ylcarbamoyl)prop-2-enamide?
The InChIKey is PTXWBSJLEPHSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-2-7(11)10-8(12)9-6-3-4-13-5-6/h2-5H,1H2,(H2,9,10,11,12).
What are the key properties of N-(furan-3-ylcarbamoyl)prop-2-enamide?
N-(furan-3-ylcarbamoyl)prop-2-enamide has a molecular weight of 180.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 59502651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).