(3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine

C15H25NO — CID 163760170

IUPAC(3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine
SMILESCCC1(C)CC(CO[C@@H]2CCNC2)=CC=C1C
InChIInChI=1S/C15H25NO/c1-4-15(3)9-13(6-5-12(15)2)11-17-14-7-8-16-10-14/h5-6,14,16H,4,7-11H2,1-3H3/t14-,15?/m1/s1
InChIKeyLXNCFPDBBWIXBE-GICMACPYSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds4

About (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine

(3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine (PubChem CID 163760170) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine
PubChem CID163760170
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine
SMILESCCC1(C)CC(CO[C@@H]2CCNC2)=CC=C1C
InChIInChI=1S/C15H25NO/c1-4-15(3)9-13(6-5-12(15)2)11-17-14-7-8-16-10-14/h5-6,14,16H,4,7-11H2,1-3H3/t14-,15?/m1/s1
InChIKeyLXNCFPDBBWIXBE-GICMACPYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine?
The IUPAC name of (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine (CID 163760170) is (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine.
What is the SMILES notation for (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine?
The canonical SMILES for (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine is CCC1(C)CC(CO[C@@H]2CCNC2)=CC=C1C.
What is the InChIKey of (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine?
The InChIKey is LXNCFPDBBWIXBE-GICMACPYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-15(3)9-13(6-5-12(15)2)11-17-14-7-8-16-10-14/h5-6,14,16H,4,7-11H2,1-3H3/t14-,15?/m1/s1.
What are the key properties of (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine?
(3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine has a molecular weight of 235.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-ethyl-4,5-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrrolidine is sourced from PubChem (CID 163760170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).