3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole

C9H15NO — CID 175093733

IUPAC3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole
SMILESC1=CNCC1.C1=COCCC1
InChIInChI=1S/C5H8O.C4H7N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2,4H,1,3,5H2;1,3,5H,2,4H2
InChIKeySTNFKQKRTUSECK-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.80
Rot. Bonds

About 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole

3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole (PubChem CID 175093733) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole
PubChem CID175093733
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole
SMILESC1=CNCC1.C1=COCCC1
InChIInChI=1S/C5H8O.C4H7N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2,4H,1,3,5H2;1,3,5H,2,4H2
InChIKeySTNFKQKRTUSECK-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole?
The IUPAC name of 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole (CID 175093733) is 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole is C1=CNCC1.C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole?
The InChIKey is STNFKQKRTUSECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C4H7N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2,4H,1,3,5H2;1,3,5H,2,4H2.
What are the key properties of 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole?
3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole has a molecular weight of 153.22 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 175093733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).