1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine

C11H17NO — CID 167098894

IUPAC1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine
SMILESCO[C@@H]1C=CC=CC1N1CCCC1
InChIInChI=1S/C11H17NO/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3/t10?,11-/m1/s1
InChIKeyUBQYXONFLUIDHZ-RRKGBCIJSA-N
MW179.26 g/mol
LogP1.59
Rot. Bonds2

About 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine

1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine (PubChem CID 167098894) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine
PubChem CID167098894
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine
SMILESCO[C@@H]1C=CC=CC1N1CCCC1
InChIInChI=1S/C11H17NO/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3/t10?,11-/m1/s1
InChIKeyUBQYXONFLUIDHZ-RRKGBCIJSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine?
The IUPAC name of 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine (CID 167098894) is 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine.
What is the SMILES notation for 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine?
The canonical SMILES for 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine is CO[C@@H]1C=CC=CC1N1CCCC1.
What is the InChIKey of 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine?
The InChIKey is UBQYXONFLUIDHZ-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H17NO/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3/t10?,11-/m1/s1.
What are the key properties of 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine?
1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine has a molecular weight of 179.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine is sourced from PubChem (CID 167098894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).