3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine

C11H19NO — CID 123767477

IUPAC3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine
SMILESC=C(C=CC)CN1CCC(OC)C1
InChIInChI=1S/C11H19NO/c1-4-5-10(2)8-12-7-6-11(9-12)13-3/h4-5,11H,2,6-9H2,1,3H3
InChIKeyQXNAYGUENBRVOK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds4

About 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine

3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine (PubChem CID 123767477) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine
PubChem CID123767477
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine
SMILESC=C(C=CC)CN1CCC(OC)C1
InChIInChI=1S/C11H19NO/c1-4-5-10(2)8-12-7-6-11(9-12)13-3/h4-5,11H,2,6-9H2,1,3H3
InChIKeyQXNAYGUENBRVOK-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4,4-difluoro-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidin-3-yl]oxy thiohypoiodite;ethane
CID 142350691
1-[(2,6-Difluorocyclohexa-1,5-dien-1-yl)methyl]-3-methoxy-4-methylpyrrolidine
CID 145106060
[4,4-difluoro-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]pyrrolidin-3-yl]oxy thiohypoiodite
CID 142350692
(3R)-3-ethoxy-1-[(2E)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienyl]pyrrolidine
CID 145106071
(2E,4Z)-4-[(3-methoxypyrrolidin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905168
3-Methoxy-1-(3-methylidenehex-4-en-2-yl)pyrrolidine
CID 123830683
1-(2,6-Dimethylhepta-2,4-dienyl)pyrrolidin-3-ol
CID 123870066
N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine
CID 123938505
(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine
CID 138546688
CID 142057030
CID 142057030
2-ethyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]morpholine
CID 142862880
1-[2-[(1E,3Z)-4-methylhexa-1,3,5-trienoxy]ethyl]pyrrolidine
CID 143215511

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine?
The IUPAC name of 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine (CID 123767477) is 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine.
What is the SMILES notation for 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine?
The canonical SMILES for 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine is C=C(C=CC)CN1CCC(OC)C1.
What is the InChIKey of 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine?
The InChIKey is QXNAYGUENBRVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-10(2)8-12-7-6-11(9-12)13-3/h4-5,11H,2,6-9H2,1,3H3.
What are the key properties of 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine?
3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine has a molecular weight of 181.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methylidenepent-3-enyl)pyrrolidine is sourced from PubChem (CID 123767477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).