N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine

C10H18N2O — CID 123391080

IUPACN-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine
SMILESC=CC(N=CC)N1CCC(OC)C1
InChIInChI=1S/C10H18N2O/c1-4-10(11-5-2)12-7-6-9(8-12)13-3/h4-5,9-10H,1,6-8H2,2-3H3
InChIKeyAIHLRBPIPIVBHK-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.31
Rot. Bonds4

About N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine

N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine (PubChem CID 123391080) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine.

Molecular Properties

Compound NameN-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine
PubChem CID123391080
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine
SMILESC=CC(N=CC)N1CCC(OC)C1
InChIInChI=1S/C10H18N2O/c1-4-10(11-5-2)12-7-6-9(8-12)13-3/h4-5,9-10H,1,6-8H2,2-3H3
InChIKeyAIHLRBPIPIVBHK-UHFFFAOYSA-N
XLogP1.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(1,3-dichloropropan-2-yl)-3-methoxypyrrolidine
CID 162371914
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
4-(3-methoxypyrrolidin-1-yl)pentan-2-ol
CID 103537676
3-(3-methoxypyrrolidin-1-yl)-N-methylbutan-1-amine
CID 103539768
3-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 103540425
2-cyclopentyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531635
16-hydroxy-16-[(3S)-3-methoxypyrrolidin-1-yl]hexadecanoic acid
CID 166729268
2-(4-methoxypiperidin-1-yl)propanenitrile
CID 60704176
2-(3-methoxypyrrolidin-1-yl)butanethioamide
CID 103533726
2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 103531517
4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 146498238

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine?
The IUPAC name of N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine (CID 123391080) is N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine.
What is the SMILES notation for N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine?
The canonical SMILES for N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine is C=CC(N=CC)N1CCC(OC)C1.
What is the InChIKey of N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine?
The InChIKey is AIHLRBPIPIVBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-10(11-5-2)12-7-6-9(8-12)13-3/h4-5,9-10H,1,6-8H2,2-3H3.
What are the key properties of N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine?
N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine has a molecular weight of 182.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypyrrolidin-1-yl)prop-2-enyl]ethanimine is sourced from PubChem (CID 123391080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).