3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one

C15H16O3 — CID 20812179

IUPAC3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
SMILESC/C=C/c1cc2c(c(=O)o1)C=C1CCCCC1O2
InChIInChI=1S/C15H16O3/c1-2-5-11-9-14-12(15(16)17-11)8-10-6-3-4-7-13(10)18-14/h2,5,8-9,13H,3-4,6-7H2,1H3/b5-2+
InChIKeyQWKXQHAIGWMKTL-GORDUTHDSA-N
MW244.29 g/mol
LogP3.39
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one

3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one (PubChem CID 20812179) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
PubChem CID20812179
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
SMILESC/C=C/c1cc2c(c(=O)o1)C=C1CCCCC1O2
InChIInChI=1S/C15H16O3/c1-2-5-11-9-14-12(15(16)17-11)8-10-6-3-4-7-13(10)18-14/h2,5,8-9,13H,3-4,6-7H2,1H3/b5-2+
InChIKeyQWKXQHAIGWMKTL-GORDUTHDSA-N
XLogP3.39
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one?
The IUPAC name of 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one (CID 20812179) is 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one?
The canonical SMILES for 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one is C/C=C/c1cc2c(c(=O)o1)C=C1CCCCC1O2.
What is the InChIKey of 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one?
The InChIKey is QWKXQHAIGWMKTL-GORDUTHDSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-5-11-9-14-12(15(16)17-11)8-10-6-3-4-7-13(10)18-14/h2,5,8-9,13H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one?
3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one has a molecular weight of 244.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one is sourced from PubChem (CID 20812179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).