N-carbamoyl-3-(furan-2-yl)prop-2-enamide

C8H8N2O3 — CID 44522951

IUPACN-carbamoyl-3-(furan-2-yl)prop-2-enamide
SMILESNC(=O)NC(=O)C=Cc1ccco1
InChIInChI=1S/C8H8N2O3/c9-8(12)10-7(11)4-3-6-2-1-5-13-6/h1-5H,(H3,9,10,11,12)
InChIKeyOQDFNZKTCBYWQZ-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.49
Rot. Bonds2

About N-carbamoyl-3-(furan-2-yl)prop-2-enamide

N-carbamoyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 44522951) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is N-carbamoyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-carbamoyl-3-(furan-2-yl)prop-2-enamide
PubChem CID44522951
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC NameN-carbamoyl-3-(furan-2-yl)prop-2-enamide
SMILESNC(=O)NC(=O)C=Cc1ccco1
InChIInChI=1S/C8H8N2O3/c9-8(12)10-7(11)4-3-6-2-1-5-13-6/h1-5H,(H3,9,10,11,12)
InChIKeyOQDFNZKTCBYWQZ-UHFFFAOYSA-N
XLogP0.49
TPSA85.33 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 ≤ 50.49
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

5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 690389
5-[3-(2-furyl)-2-propenylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 805156
5-Furfurylidene hydantoin
CID 5370029
2-Furanacrylamide, alpha-cyano-
CID 870752
5-Furfurylidenebarbituric acid
CID 96927
2-Furanacrylamide
CID 819289
5-[(Furan-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 233025
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-(2-furyl)acrylamide
CID 898057
1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 10726535
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-(5-methyl-2-furyl)acrylamide
CID 896656
5-((2E)-3-(2-furyl)prop-2-enylidene)-1,3-thiazolidine-2,4-dione
CID 5975296
5-Furan-2-ylmethylene-thiazolidine-2,4-dione
CID 1379703

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-carbamoyl-3-(furan-2-yl)prop-2-enamide (CID 44522951) is N-carbamoyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-carbamoyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-carbamoyl-3-(furan-2-yl)prop-2-enamide is NC(=O)NC(=O)C=Cc1ccco1.
What is the InChIKey of N-carbamoyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is OQDFNZKTCBYWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-8(12)10-7(11)4-3-6-2-1-5-13-6/h1-5H,(H3,9,10,11,12).
What are the key properties of N-carbamoyl-3-(furan-2-yl)prop-2-enamide?
N-carbamoyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 180.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 44522951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).