1-[(6S)-6-methyloxan-3-yl]pyrrolidine

C10H19NO — CID 129044500

IUPAC1-[(6S)-6-methyloxan-3-yl]pyrrolidine
SMILESC[C@H]1CCC(N2CCCC2)CO1
InChIInChI=1S/C10H19NO/c1-9-4-5-10(8-12-9)11-6-2-3-7-11/h9-10H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyHLXTYQWBXPLWLS-RGURZIINSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds1

About 1-[(6S)-6-methyloxan-3-yl]pyrrolidine

1-[(6S)-6-methyloxan-3-yl]pyrrolidine (PubChem CID 129044500) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(6S)-6-methyloxan-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(6S)-6-methyloxan-3-yl]pyrrolidine
PubChem CID129044500
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(6S)-6-methyloxan-3-yl]pyrrolidine
SMILESC[C@H]1CCC(N2CCCC2)CO1
InChIInChI=1S/C10H19NO/c1-9-4-5-10(8-12-9)11-6-2-3-7-11/h9-10H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyHLXTYQWBXPLWLS-RGURZIINSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-methyloxan-3-yl]pyrrolidine?
The IUPAC name of 1-[(6S)-6-methyloxan-3-yl]pyrrolidine (CID 129044500) is 1-[(6S)-6-methyloxan-3-yl]pyrrolidine.
What is the SMILES notation for 1-[(6S)-6-methyloxan-3-yl]pyrrolidine?
The canonical SMILES for 1-[(6S)-6-methyloxan-3-yl]pyrrolidine is C[C@H]1CCC(N2CCCC2)CO1.
What is the InChIKey of 1-[(6S)-6-methyloxan-3-yl]pyrrolidine?
The InChIKey is HLXTYQWBXPLWLS-RGURZIINSA-N. The full InChI is InChI=1S/C10H19NO/c1-9-4-5-10(8-12-9)11-6-2-3-7-11/h9-10H,2-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of 1-[(6S)-6-methyloxan-3-yl]pyrrolidine?
1-[(6S)-6-methyloxan-3-yl]pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-methyloxan-3-yl]pyrrolidine is sourced from PubChem (CID 129044500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).