1-(2H-pyran-3-yl)pyrrolidine

C9H13NO — CID 173327826

IUPAC1-(2H-pyran-3-yl)pyrrolidine
SMILESC1=COCC(N2CCCC2)=C1
InChIInChI=1S/C9H13NO/c1-2-6-10(5-1)9-4-3-7-11-8-9/h3-4,7H,1-2,5-6,8H2
InChIKeyCDBCPIBWIKNLKP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.51
Rot. Bonds1

About 1-(2H-pyran-3-yl)pyrrolidine

1-(2H-pyran-3-yl)pyrrolidine (PubChem CID 173327826) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2H-pyran-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2H-pyran-3-yl)pyrrolidine
PubChem CID173327826
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(2H-pyran-3-yl)pyrrolidine
SMILESC1=COCC(N2CCCC2)=C1
InChIInChI=1S/C9H13NO/c1-2-6-10(5-1)9-4-3-7-11-8-9/h3-4,7H,1-2,5-6,8H2
InChIKeyCDBCPIBWIKNLKP-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-3-yl)pyrrolidine?
The IUPAC name of 1-(2H-pyran-3-yl)pyrrolidine (CID 173327826) is 1-(2H-pyran-3-yl)pyrrolidine.
What is the SMILES notation for 1-(2H-pyran-3-yl)pyrrolidine?
The canonical SMILES for 1-(2H-pyran-3-yl)pyrrolidine is C1=COCC(N2CCCC2)=C1.
What is the InChIKey of 1-(2H-pyran-3-yl)pyrrolidine?
The InChIKey is CDBCPIBWIKNLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-6-10(5-1)9-4-3-7-11-8-9/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-(2H-pyran-3-yl)pyrrolidine?
1-(2H-pyran-3-yl)pyrrolidine has a molecular weight of 151.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyran-3-yl)pyrrolidine is sourced from PubChem (CID 173327826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).