4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine

C10H18N2O — CID 131140835

IUPAC4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine
SMILESCC1(CN2CC=CC2)COCC1N
InChIInChI=1S/C10H18N2O/c1-10(8-13-6-9(10)11)7-12-4-2-3-5-12/h2-3,9H,4-8,11H2,1H3
InChIKeyHRTGNCRAXSHHPJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.22
Rot. Bonds2

About 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine

4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine (PubChem CID 131140835) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine
PubChem CID131140835
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine
SMILESCC1(CN2CC=CC2)COCC1N
InChIInChI=1S/C10H18N2O/c1-10(8-13-6-9(10)11)7-12-4-2-3-5-12/h2-3,9H,4-8,11H2,1H3
InChIKeyHRTGNCRAXSHHPJ-UHFFFAOYSA-N
XLogP0.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine (CID 131140835) is 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine is CC1(CN2CC=CC2)COCC1N.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine?
The InChIKey is HRTGNCRAXSHHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(8-13-6-9(10)11)7-12-4-2-3-5-12/h2-3,9H,4-8,11H2,1H3.
What are the key properties of 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine?
4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine has a molecular weight of 182.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-ylmethyl)-4-methyloxolan-3-amine is sourced from PubChem (CID 131140835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).