(E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide

C10H13NO2 — CID 42636811

IUPAC(E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)C)o1
InChIInChI=1S/C10H13NO2/c1-8-4-5-9(13-8)6-7-10(12)11(2)3/h4-7H,1-3H3/b7-6+
InChIKeyZIUQNPSQJVBLEB-VOTSOKGWSA-N
MW179.22 g/mol
LogP1.69
Rot. Bonds2

About (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 42636811) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID42636811
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)C)o1
InChIInChI=1S/C10H13NO2/c1-8-4-5-9(13-8)6-7-10(12)11(2)3/h4-7H,1-3H3/b7-6+
InChIKeyZIUQNPSQJVBLEB-VOTSOKGWSA-N
XLogP1.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 42636811) is (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)N(C)C)o1.
What is the InChIKey of (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is ZIUQNPSQJVBLEB-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8-4-5-9(13-8)6-7-10(12)11(2)3/h4-7H,1-3H3/b7-6+.
What are the key properties of (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 179.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 42636811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).