3-(4H-pyran-4-yl)pyrrolidine

C9H13NO — CID 158224174

IUPAC3-(4H-pyran-4-yl)pyrrolidine
SMILESC1=CC(C2CCNC2)C=CO1
InChIInChI=1S/C9H13NO/c1-4-10-7-9(1)8-2-5-11-6-3-8/h2-3,5-6,8-10H,1,4,7H2
InChIKeyGDPGHXBMAJASFB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.27
Rot. Bonds1

About 3-(4H-pyran-4-yl)pyrrolidine

3-(4H-pyran-4-yl)pyrrolidine (PubChem CID 158224174) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-(4H-pyran-4-yl)pyrrolidine.

Molecular Properties

Compound Name3-(4H-pyran-4-yl)pyrrolidine
PubChem CID158224174
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-(4H-pyran-4-yl)pyrrolidine
SMILESC1=CC(C2CCNC2)C=CO1
InChIInChI=1S/C9H13NO/c1-4-10-7-9(1)8-2-5-11-6-3-8/h2-3,5-6,8-10H,1,4,7H2
InChIKeyGDPGHXBMAJASFB-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4H-pyran-4-yl)pyrrolidine?
The IUPAC name of 3-(4H-pyran-4-yl)pyrrolidine (CID 158224174) is 3-(4H-pyran-4-yl)pyrrolidine.
What is the SMILES notation for 3-(4H-pyran-4-yl)pyrrolidine?
The canonical SMILES for 3-(4H-pyran-4-yl)pyrrolidine is C1=CC(C2CCNC2)C=CO1.
What is the InChIKey of 3-(4H-pyran-4-yl)pyrrolidine?
The InChIKey is GDPGHXBMAJASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-10-7-9(1)8-2-5-11-6-3-8/h2-3,5-6,8-10H,1,4,7H2.
What are the key properties of 3-(4H-pyran-4-yl)pyrrolidine?
3-(4H-pyran-4-yl)pyrrolidine has a molecular weight of 151.21 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4H-pyran-4-yl)pyrrolidine is sourced from PubChem (CID 158224174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).