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

C10H13NOS — CID 60651841

IUPAC(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)C)s1
InChIInChI=1S/C10H13NOS/c1-8-4-5-9(13-8)6-7-10(12)11(2)3/h4-7H,1-3H3/b7-6+
InChIKeyIPSKVJXRYUHKOA-VOTSOKGWSA-N
MW195.29 g/mol
LogP2.16
Rot. Bonds2

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

(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 60651841) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID60651841
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)C)s1
InChIInChI=1S/C10H13NOS/c1-8-4-5-9(13-8)6-7-10(12)11(2)3/h4-7H,1-3H3/b7-6+
InChIKeyIPSKVJXRYUHKOA-VOTSOKGWSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.16
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-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 60651841) is (E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)N(C)C)s1.
What is the InChIKey of (E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is IPSKVJXRYUHKOA-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H13NOS/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-methylthiophen-2-yl)prop-2-enamide?
(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 195.29 g/mol, XLogP of 2.16, 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-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 60651841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).