1-(oxan-3-ylmethyl)pyrrolidine

C10H19NO — CID 91805344

IUPAC1-(oxan-3-ylmethyl)pyrrolidine
SMILESC1COCC(CN2CCCC2)C1
InChIInChI=1S/C10H19NO/c1-2-6-11(5-1)8-10-4-3-7-12-9-10/h10H,1-9H2
InChIKeyLQXYUIIIVVLRGP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds2

About 1-(oxan-3-ylmethyl)pyrrolidine

1-(oxan-3-ylmethyl)pyrrolidine (PubChem CID 91805344) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)pyrrolidine
PubChem CID91805344
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(oxan-3-ylmethyl)pyrrolidine
SMILESC1COCC(CN2CCCC2)C1
InChIInChI=1S/C10H19NO/c1-2-6-11(5-1)8-10-4-3-7-12-9-10/h10H,1-9H2
InChIKeyLQXYUIIIVVLRGP-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
1-(oxan-3-ylmethyl)piperidin-3-amine
CID 63741135
1-(oxetan-3-ylmethyl)piperidine
CID 57169736
3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
CID 64952742
2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63312870
1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol
CID 91840019
4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
CID 131899608
3-(2-methylpropyl)-1-(oxan-3-ylmethyl)-1,4-diazepane
CID 64950927
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
3,3-diethyl-1-(oxan-3-ylmethyl)piperazine
CID 64952342
3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid
CID 65068448
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)pyrrolidine?
The IUPAC name of 1-(oxan-3-ylmethyl)pyrrolidine (CID 91805344) is 1-(oxan-3-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(oxan-3-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(oxan-3-ylmethyl)pyrrolidine is C1COCC(CN2CCCC2)C1.
What is the InChIKey of 1-(oxan-3-ylmethyl)pyrrolidine?
The InChIKey is LQXYUIIIVVLRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-6-11(5-1)8-10-4-3-7-12-9-10/h10H,1-9H2.
What are the key properties of 1-(oxan-3-ylmethyl)pyrrolidine?
1-(oxan-3-ylmethyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 91805344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).