1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine

C14H21NO — CID 143265863

IUPAC1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine
SMILESCC1=CC=C(OCCN2CCCC2)CC=C1
InChIInChI=1S/C14H21NO/c1-13-5-4-6-14(8-7-13)16-12-11-15-9-2-3-10-15/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKeyONMGGAJHTUSBRI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine

1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine (PubChem CID 143265863) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine
PubChem CID143265863
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine
SMILESCC1=CC=C(OCCN2CCCC2)CC=C1
InChIInChI=1S/C14H21NO/c1-13-5-4-6-14(8-7-13)16-12-11-15-9-2-3-10-15/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKeyONMGGAJHTUSBRI-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine (CID 143265863) is 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine is CC1=CC=C(OCCN2CCCC2)CC=C1.
What is the InChIKey of 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine?
The InChIKey is ONMGGAJHTUSBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13-5-4-6-14(8-7-13)16-12-11-15-9-2-3-10-15/h4-5,7-8H,2-3,6,9-12H2,1H3.
What are the key properties of 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine?
1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine is sourced from PubChem (CID 143265863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).