4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine

C12H22N2O — CID 79207462

IUPAC4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESCOCC1CCN(CC2C=CC(N)C2)C1
InChIInChI=1S/C12H22N2O/c1-15-9-11-4-5-14(8-11)7-10-2-3-12(13)6-10/h2-3,10-12H,4-9,13H2,1H3
InChIKeyMMFZPXXNIQHBNW-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.86
Rot. Bonds4

About 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine

4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine (PubChem CID 79207462) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine
PubChem CID79207462
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESCOCC1CCN(CC2C=CC(N)C2)C1
InChIInChI=1S/C12H22N2O/c1-15-9-11-4-5-14(8-11)7-10-2-3-12(13)6-10/h2-3,10-12H,4-9,13H2,1H3
InChIKeyMMFZPXXNIQHBNW-UHFFFAOYSA-N
XLogP0.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.86
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-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine (CID 79207462) is 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine is COCC1CCN(CC2C=CC(N)C2)C1.
What is the InChIKey of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine?
The InChIKey is MMFZPXXNIQHBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-9-11-4-5-14(8-11)7-10-2-3-12(13)6-10/h2-3,10-12H,4-9,13H2,1H3.
What are the key properties of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine?
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).