(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine

C18H22N2O — CID 177467304

IUPAC(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
SMILESCOC[C@@H]1CCCN1/N=C(/c1ccccc1)C1C=CC=C1
InChIInChI=1S/C18H22N2O/c1-21-14-17-12-7-13-20(17)19-18(16-10-5-6-11-16)15-8-3-2-4-9-15/h2-6,8-11,16-17H,7,12-14H2,1H3/b19-18-/t17-/m0/s1
InChIKeyOAIWDQGAGWCICI-NSURYPBFSA-N
MW282.39 g/mol
LogP3.24
Rot. Bonds5

About (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine

(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine (PubChem CID 177467304) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
PubChem CID177467304
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
SMILESCOC[C@@H]1CCCN1/N=C(/c1ccccc1)C1C=CC=C1
InChIInChI=1S/C18H22N2O/c1-21-14-17-12-7-13-20(17)19-18(16-10-5-6-11-16)15-8-3-2-4-9-15/h2-6,8-11,16-17H,7,12-14H2,1H3/b19-18-/t17-/m0/s1
InChIKeyOAIWDQGAGWCICI-NSURYPBFSA-N
XLogP3.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine
CID 12977363
(Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 177476484
(Z,2S)-12-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenyldodecan-1-imine
CID 11027688
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
N-[(3S,4Z)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-3-methyl-4-phenylbutyl]-4-methylbenzenesulfonamide
CID 177436208
1-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylbutan-2-imine
CID 23241580
N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
CID 71323940
N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine
CID 10589584
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 135050661
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
CID 10809024
CID 10809024
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine
CID 123830481

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine?
The IUPAC name of (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine (CID 177467304) is (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine.
What is the SMILES notation for (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine?
The canonical SMILES for (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine is COC[C@@H]1CCCN1/N=C(/c1ccccc1)C1C=CC=C1.
What is the InChIKey of (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine?
The InChIKey is OAIWDQGAGWCICI-NSURYPBFSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-14-17-12-7-13-20(17)19-18(16-10-5-6-11-16)15-8-3-2-4-9-15/h2-6,8-11,16-17H,7,12-14H2,1H3/b19-18-/t17-/m0/s1.
What are the key properties of (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine?
(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine has a molecular weight of 282.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine is sourced from PubChem (CID 177467304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).