N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

C12H14N2OS — CID 53015520

IUPACN,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCN(C)C(=O)c1cc2sccc2n1C
InChIInChI=1S/C12H14N2OS/c1-4-6-13(2)12(15)10-8-11-9(14(10)3)5-7-16-11/h4-5,7-8H,1,6H2,2-3H3
InChIKeySBQRQOCSDGGQQM-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.50
Rot. Bonds3

About N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide

N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53015520) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53015520
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
SMILESC=CCN(C)C(=O)c1cc2sccc2n1C
InChIInChI=1S/C12H14N2OS/c1-4-6-13(2)12(15)10-8-11-9(14(10)3)5-7-16-11/h4-5,7-8H,1,6H2,2-3H3
InChIKeySBQRQOCSDGGQQM-UHFFFAOYSA-N
XLogP2.50
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide (CID 53015520) is N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is C=CCN(C)C(=O)c1cc2sccc2n1C.
What is the InChIKey of N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is SBQRQOCSDGGQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-4-6-13(2)12(15)10-8-11-9(14(10)3)5-7-16-11/h4-5,7-8H,1,6H2,2-3H3.
What are the key properties of N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide?
N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53015520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).