5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide

C12H15NOS — CID 1245577

IUPAC5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C)s1
InChIInChI=1S/C12H15NOS/c1-4-8-13(9-5-2)12(14)11-7-6-10(3)15-11/h4-7H,1-2,8-9H2,3H3
InChIKeyTUFJEQLYVJMXKC-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.87
Rot. Bonds5

About 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide

5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide (PubChem CID 1245577) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
PubChem CID1245577
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C)s1
InChIInChI=1S/C12H15NOS/c1-4-8-13(9-5-2)12(14)11-7-6-10(3)15-11/h4-7H,1-2,8-9H2,3H3
InChIKeyTUFJEQLYVJMXKC-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide (CID 1245577) is 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide is C=CCN(CC=C)C(=O)c1ccc(C)s1.
What is the InChIKey of 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The InChIKey is TUFJEQLYVJMXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-4-8-13(9-5-2)12(14)11-7-6-10(3)15-11/h4-7H,1-2,8-9H2,3H3.
What are the key properties of 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide has a molecular weight of 221.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-bis(prop-2-enyl)thiophene-2-carboxamide is sourced from PubChem (CID 1245577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).