1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine

C11H17NO — CID 153329743

IUPAC1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESCOC1C=CC(N2CCCC2)=CC1
InChIInChI=1S/C11H17NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h4-6,11H,2-3,7-9H2,1H3
InChIKeyNKXCJPBXGLYQSM-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.94
Rot. Bonds2

About 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine

1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine (PubChem CID 153329743) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine
PubChem CID153329743
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESCOC1C=CC(N2CCCC2)=CC1
InChIInChI=1S/C11H17NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h4-6,11H,2-3,7-9H2,1H3
InChIKeyNKXCJPBXGLYQSM-UHFFFAOYSA-N
XLogP1.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine?
The IUPAC name of 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine (CID 153329743) is 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine?
The canonical SMILES for 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine is COC1C=CC(N2CCCC2)=CC1.
What is the InChIKey of 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine?
The InChIKey is NKXCJPBXGLYQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h4-6,11H,2-3,7-9H2,1H3.
What are the key properties of 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine?
1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine has a molecular weight of 179.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine is sourced from PubChem (CID 153329743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).