1-(oxolan-3-ylmethyl)pyrrolidine

C9H17NO — CID 66580688

IUPAC1-(oxolan-3-ylmethyl)pyrrolidine
SMILESC1CCN(CC2CCOC2)C1
InChIInChI=1S/C9H17NO/c1-2-5-10(4-1)7-9-3-6-11-8-9/h9H,1-8H2
InChIKeyMNRUORDUYWCAAV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)pyrrolidine

1-(oxolan-3-ylmethyl)pyrrolidine (PubChem CID 66580688) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)pyrrolidine
PubChem CID66580688
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(oxolan-3-ylmethyl)pyrrolidine
SMILESC1CCN(CC2CCOC2)C1
InChIInChI=1S/C9H17NO/c1-2-5-10(4-1)7-9-3-6-11-8-9/h9H,1-8H2
InChIKeyMNRUORDUYWCAAV-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63312870
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
1-(oxetan-3-ylmethyl)piperidine
CID 57169736
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde
CID 62655300
4-(oxolan-3-ylmethyl)piperazine-1-carbodithioic acid
CID 155294676
3-methyl-1-(oxolan-3-ylmethyl)piperidin-3-ol
CID 115873758
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
4-(oxan-4-ylmethyl)morpholine
CID 122244931
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444
N,4-dimethyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 115303950

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)pyrrolidine?
The IUPAC name of 1-(oxolan-3-ylmethyl)pyrrolidine (CID 66580688) is 1-(oxolan-3-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(oxolan-3-ylmethyl)pyrrolidine is C1CCN(CC2CCOC2)C1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)pyrrolidine?
The InChIKey is MNRUORDUYWCAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-5-10(4-1)7-9-3-6-11-8-9/h9H,1-8H2.
What are the key properties of 1-(oxolan-3-ylmethyl)pyrrolidine?
1-(oxolan-3-ylmethyl)pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 66580688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).