3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine

C14H23NO — CID 175841525

IUPAC3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine
SMILESCOC1CCN(CCC2C=CC=CC2C)C1
InChIInChI=1S/C14H23NO/c1-12-5-3-4-6-13(12)7-9-15-10-8-14(11-15)16-2/h3-6,12-14H,7-11H2,1-2H3
InChIKeyIHADLLLARLBQCI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.48
Rot. Bonds4

About 3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine

3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine (PubChem CID 175841525) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine
PubChem CID175841525
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine
SMILESCOC1CCN(CCC2C=CC=CC2C)C1
InChIInChI=1S/C14H23NO/c1-12-5-3-4-6-13(12)7-9-15-10-8-14(11-15)16-2/h3-6,12-14H,7-11H2,1-2H3
InChIKeyIHADLLLARLBQCI-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3-methoxypyrrolidin-1-yl)propyl]piperidine
CID 103534757
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634
3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
CID 170772093
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
3-methoxy-1-(2-piperidin-2-ylethyl)piperidine
CID 102965751
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine?
The IUPAC name of 3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine (CID 175841525) is 3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine is COC1CCN(CCC2C=CC=CC2C)C1.
What is the InChIKey of 3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine?
The InChIKey is IHADLLLARLBQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-5-3-4-6-13(12)7-9-15-10-8-14(11-15)16-2/h3-6,12-14H,7-11H2,1-2H3.
What are the key properties of 3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine?
3-methoxy-1-[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine has a molecular weight of 221.34 g/mol, XLogP of 2.48, 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-(6-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine is sourced from PubChem (CID 175841525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).