(Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine

C19H24N2O — CID 177476484

IUPAC(Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
SMILESCOCC1CCCN1/N=C(/Cc1ccccc1)C1=CC=CC1
InChIInChI=1S/C19H24N2O/c1-22-15-18-12-7-13-21(18)20-19(17-10-5-6-11-17)14-16-8-3-2-4-9-16/h2-6,8-10,18H,7,11-15H2,1H3/b20-19-
InChIKeyUVUFNMFIMSQYEP-VXPUYCOJSA-N
MW296.41 g/mol
LogP3.58
Rot. Bonds6

About (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine

(Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine (PubChem CID 177476484) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine.

Molecular Properties

Compound Name(Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
PubChem CID177476484
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
SMILESCOCC1CCCN1/N=C(/Cc1ccccc1)C1=CC=CC1
InChIInChI=1S/C19H24N2O/c1-22-15-18-12-7-13-21(18)20-19(17-10-5-6-11-17)14-16-8-3-2-4-9-16/h2-6,8-10,18H,7,11-15H2,1H3/b20-19-
InChIKeyUVUFNMFIMSQYEP-VXPUYCOJSA-N
XLogP3.58
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.58
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)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylmethanimine
CID 12977363
1-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylbutan-2-imine
CID 23241580
(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
(E,2S)-2-benzylsulfanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-imine
CID 177438827
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
(Z,2S)-12-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenyldodecan-1-imine
CID 11027688
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
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 15971722

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine?
The IUPAC name of (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine (CID 177476484) is (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine.
What is the SMILES notation for (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine?
The canonical SMILES for (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine is COCC1CCCN1/N=C(/Cc1ccccc1)C1=CC=CC1.
What is the InChIKey of (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine?
The InChIKey is UVUFNMFIMSQYEP-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-15-18-12-7-13-21(18)20-19(17-10-5-6-11-17)14-16-8-3-2-4-9-16/h2-6,8-10,18H,7,11-15H2,1H3/b20-19-.
What are the key properties of (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine?
(Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine has a molecular weight of 296.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine is sourced from PubChem (CID 177476484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).