(3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine

C14H19N — CID 146163599

IUPAC(3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine
SMILESC=C1CN(c2ccc(CC)cc2)C[C@@H]1C
InChIInChI=1S/C14H19N/c1-4-13-5-7-14(8-6-13)15-9-11(2)12(3)10-15/h5-8,12H,2,4,9-10H2,1,3H3/t12-/m0/s1
InChIKeyZGVASIJGUOYUNE-LBPRGKRZSA-N
MW201.31 g/mol
LogP3.26
Rot. Bonds2

About (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine

(3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine (PubChem CID 146163599) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine
PubChem CID146163599
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine
SMILESC=C1CN(c2ccc(CC)cc2)C[C@@H]1C
InChIInChI=1S/C14H19N/c1-4-13-5-7-14(8-6-13)15-9-11(2)12(3)10-15/h5-8,12H,2,4,9-10H2,1,3H3/t12-/m0/s1
InChIKeyZGVASIJGUOYUNE-LBPRGKRZSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
CID 59545269
2-(4-ethylphenyl)-1,3-dihydroisoindole
CID 3383161
4-(4-ethylphenyl)morpholine
CID 20576442
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
[(2R,6S)-4-(4-ethylphenyl)-2,6-dimethylpiperazin-1-yl]-phenylmethanone
CID 129268177
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
1-(4-ethylphenyl)-3,3,5,5-tetramethylpiperidin-4-ol
CID 139470827
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
1-(2,5-dimethylhexyl)-4-(4-ethylphenyl)-1-methylpiperazin-1-ium
CID 145129940
1-(4-ethylphenyl)-2-methylidenepyrrolidine
CID 155197787
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
1-[4-(ethylaminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106670405

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine?
The IUPAC name of (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine (CID 146163599) is (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine is C=C1CN(c2ccc(CC)cc2)C[C@@H]1C.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine?
The InChIKey is ZGVASIJGUOYUNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N/c1-4-13-5-7-14(8-6-13)15-9-11(2)12(3)10-15/h5-8,12H,2,4,9-10H2,1,3H3/t12-/m0/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine?
(3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-3-methyl-4-methylidenepyrrolidine is sourced from PubChem (CID 146163599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).