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

C19H24N2O — CID 12977363

IUPAC(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine
SMILESCOC[C@@H]1CCCN1/N=C(\c1ccccc1)C1C=CC=C1C
InChIInChI=1S/C19H24N2O/c1-15-8-6-12-18(15)19(16-9-4-3-5-10-16)20-21-13-7-11-17(21)14-22-2/h3-6,8-10,12,17-18H,7,11,13-14H2,1-2H3/b20-19+/t17-,18?/m0/s1
InChIKeyWLMOTFFKZIPUDW-DSEPHJRUSA-N
MW296.41 g/mol
LogP3.63
Rot. Bonds5

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

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine (PubChem CID 12977363) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine
PubChem CID12977363
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine
SMILESCOC[C@@H]1CCCN1/N=C(\c1ccccc1)C1C=CC=C1C
InChIInChI=1S/C19H24N2O/c1-15-8-6-12-18(15)19(16-9-4-3-5-10-16)20-21-13-7-11-17(21)14-22-2/h3-6,8-10,12,17-18H,7,11,13-14H2,1-2H3/b20-19+/t17-,18?/m0/s1
InChIKeyWLMOTFFKZIPUDW-DSEPHJRUSA-N
XLogP3.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.63
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

(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 177467304
(Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 177476484
N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine
CID 10589584
(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
(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 (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine?
The IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine (CID 12977363) is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine?
The canonical SMILES for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine is COC[C@@H]1CCCN1/N=C(\c1ccccc1)C1C=CC=C1C.
What is the InChIKey of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine?
The InChIKey is WLMOTFFKZIPUDW-DSEPHJRUSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-8-6-12-18(15)19(16-9-4-3-5-10-16)20-21-13-7-11-17(21)14-22-2/h3-6,8-10,12,17-18H,7,11,13-14H2,1-2H3/b20-19+/t17-,18?/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine?
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine has a molecular weight of 296.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine is sourced from PubChem (CID 12977363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).