5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one

C10H13NOS — CID 68970560

IUPAC5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
SMILESC=CCN1CCC2SC(=O)C=C2C1
InChIInChI=1S/C10H13NOS/c1-2-4-11-5-3-9-8(7-11)6-10(12)13-9/h2,6,9H,1,3-5,7H2
InChIKeyVBNFZMOVLIZJCO-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.45
Rot. Bonds2

About 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one

5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one (PubChem CID 68970560) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
PubChem CID68970560
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
SMILESC=CCN1CCC2SC(=O)C=C2C1
InChIInChI=1S/C10H13NOS/c1-2-4-11-5-3-9-8(7-11)6-10(12)13-9/h2,6,9H,1,3-5,7H2
InChIKeyVBNFZMOVLIZJCO-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one?
The IUPAC name of 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one (CID 68970560) is 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one.
What is the SMILES notation for 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one?
The canonical SMILES for 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one is C=CCN1CCC2SC(=O)C=C2C1.
What is the InChIKey of 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one?
The InChIKey is VBNFZMOVLIZJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-2-4-11-5-3-9-8(7-11)6-10(12)13-9/h2,6,9H,1,3-5,7H2.
What are the key properties of 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one?
5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one has a molecular weight of 195.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one is sourced from PubChem (CID 68970560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).