4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine

C10H20N2O — CID 155201713

IUPAC4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine
SMILESC/C=C/C1C(NC)C(OC)CN1C
InChIInChI=1S/C10H20N2O/c1-5-6-8-10(11-2)9(13-4)7-12(8)3/h5-6,8-11H,7H2,1-4H3/b6-5+
InChIKeyJHKHPROTRSTIOW-AATRIKPKSA-N
MW184.28 g/mol
LogP0.48
Rot. Bonds3

About 4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine

4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine (PubChem CID 155201713) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine
PubChem CID155201713
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine
SMILESC/C=C/C1C(NC)C(OC)CN1C
InChIInChI=1S/C10H20N2O/c1-5-6-8-10(11-2)9(13-4)7-12(8)3/h5-6,8-11H,7H2,1-4H3/b6-5+
InChIKeyJHKHPROTRSTIOW-AATRIKPKSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.48
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-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine?
The IUPAC name of 4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine (CID 155201713) is 4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine is C/C=C/C1C(NC)C(OC)CN1C.
What is the InChIKey of 4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine?
The InChIKey is JHKHPROTRSTIOW-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-6-8-10(11-2)9(13-4)7-12(8)3/h5-6,8-11H,7H2,1-4H3/b6-5+.
What are the key properties of 4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine?
4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine has a molecular weight of 184.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,1-dimethyl-2-[(E)-prop-1-enyl]pyrrolidin-3-amine is sourced from PubChem (CID 155201713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).