(Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide

C13H17N3O2 — CID 2040440

IUPAC(Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\c1ccc(N(C)C)o1
InChIInChI=1S/C13H17N3O2/c1-9(2)15-13(17)10(8-14)7-11-5-6-12(18-11)16(3)4/h5-7,9H,1-4H3,(H,15,17)/b10-7-
InChIKeyQZGFTLPBWMOZKQ-YFHOEESVSA-N
MW247.30 g/mol
LogP1.78
Rot. Bonds4

About (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide (PubChem CID 2040440) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide
PubChem CID2040440
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\c1ccc(N(C)C)o1
InChIInChI=1S/C13H17N3O2/c1-9(2)15-13(17)10(8-14)7-11-5-6-12(18-11)16(3)4/h5-7,9H,1-4H3,(H,15,17)/b10-7-
InChIKeyQZGFTLPBWMOZKQ-YFHOEESVSA-N
XLogP1.78
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide (CID 2040440) is (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C(C#N)=C\c1ccc(N(C)C)o1.
What is the InChIKey of (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide?
The InChIKey is QZGFTLPBWMOZKQ-YFHOEESVSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(2)15-13(17)10(8-14)7-11-5-6-12(18-11)16(3)4/h5-7,9H,1-4H3,(H,15,17)/b10-7-.
What are the key properties of (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide has a molecular weight of 247.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 2040440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).