1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine

C10H18N2O2 — CID 104762316

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1(OC)CCOC1
InChIInChI=1S/C10H18N2O2/c1-13-10(4-6-14-8-10)7-12-5-2-3-9(12)11/h11H,2-8H2,1H3/b11-9+
InChIKeyQOOQQHJNWNWKRJ-PKNBQFBNSA-N
MW198.27 g/mol
LogP0.86
Rot. Bonds3

About 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine

1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine (PubChem CID 104762316) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine
PubChem CID104762316
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1(OC)CCOC1
InChIInChI=1S/C10H18N2O2/c1-13-10(4-6-14-8-10)7-12-5-2-3-9(12)11/h11H,2-8H2,1H3/b11-9+
InChIKeyQOOQQHJNWNWKRJ-PKNBQFBNSA-N
XLogP0.86
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 104760800
1-[(3-Methoxyoxolan-3-yl)methyl]piperidin-2-imine
CID 104762318
1-(3-Methyloxolan-3-yl)pyrrolidin-2-imine
CID 116163828

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine (CID 104762316) is 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1CC1(OC)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine?
The InChIKey is QOOQQHJNWNWKRJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-13-10(4-6-14-8-10)7-12-5-2-3-9(12)11/h11H,2-8H2,1H3/b11-9+.
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine?
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine has a molecular weight of 198.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine is sourced from PubChem (CID 104762316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).