N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide

C9H8N2O2 — CID 85106709

IUPACN-[1-cyano-2-(furan-2-yl)ethenyl]acetamide
SMILESCC(=O)NC(C#N)=Cc1ccco1
InChIInChI=1S/C9H8N2O2/c1-7(12)11-8(6-10)5-9-3-2-4-13-9/h2-5H,1H3,(H,11,12)
InChIKeyRXULPHHDHFSSKR-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.28
Rot. Bonds2

About N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide

N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide (PubChem CID 85106709) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[1-cyano-2-(furan-2-yl)ethenyl]acetamide
PubChem CID85106709
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC NameN-[1-cyano-2-(furan-2-yl)ethenyl]acetamide
SMILESCC(=O)NC(C#N)=Cc1ccco1
InChIInChI=1S/C9H8N2O2/c1-7(12)11-8(6-10)5-9-3-2-4-13-9/h2-5H,1H3,(H,11,12)
InChIKeyRXULPHHDHFSSKR-UHFFFAOYSA-N
XLogP1.28
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
(2Z)-2-(furan-2-ylmethylidene)-3-oxobutanoic acid
CID 18595236
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7560112
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 954076
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
CID 3752983
(E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile
CID 9337840
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914478
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 842183
2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide
CID 111447916

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide?
The IUPAC name of N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide (CID 85106709) is N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide.
What is the SMILES notation for N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide?
The canonical SMILES for N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide is CC(=O)NC(C#N)=Cc1ccco1.
What is the InChIKey of N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide?
The InChIKey is RXULPHHDHFSSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-7(12)11-8(6-10)5-9-3-2-4-13-9/h2-5H,1H3,(H,11,12).
What are the key properties of N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide?
N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide has a molecular weight of 176.17 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide is sourced from PubChem (CID 85106709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).