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

C11H13NOS — CID 668932

IUPACN,N-bis(prop-2-enyl)thiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cccs1
InChIInChI=1S/C11H13NOS/c1-3-7-12(8-4-2)11(13)10-6-5-9-14-10/h3-6,9H,1-2,7-8H2
InChIKeyDZTJWVYVBJFHTB-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.56
Rot. Bonds5

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

N,N-bis(prop-2-enyl)thiophene-2-carboxamide (PubChem CID 668932) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)thiophene-2-carboxamide
PubChem CID668932
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC NameN,N-bis(prop-2-enyl)thiophene-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cccs1
InChIInChI=1S/C11H13NOS/c1-3-7-12(8-4-2)11(13)10-6-5-9-14-10/h3-6,9H,1-2,7-8H2
InChIKeyDZTJWVYVBJFHTB-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.56
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 N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The IUPAC name of N,N-bis(prop-2-enyl)thiophene-2-carboxamide (CID 668932) is N,N-bis(prop-2-enyl)thiophene-2-carboxamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The canonical SMILES for N,N-bis(prop-2-enyl)thiophene-2-carboxamide is C=CCN(CC=C)C(=O)c1cccs1.
What is the InChIKey of N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
The InChIKey is DZTJWVYVBJFHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-3-7-12(8-4-2)11(13)10-6-5-9-14-10/h3-6,9H,1-2,7-8H2.
What are the key properties of N,N-bis(prop-2-enyl)thiophene-2-carboxamide?
N,N-bis(prop-2-enyl)thiophene-2-carboxamide has a molecular weight of 207.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)thiophene-2-carboxamide is sourced from PubChem (CID 668932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).