1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine

C19H19ClN2O3 — CID 175386456

IUPAC1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine
SMILESO=[N+]([O-])c1cc(OCc2ccc(Cl)cc2)ccc1C=CN1CCCC1
InChIInChI=1S/C19H19ClN2O3/c20-17-6-3-15(4-7-17)14-25-18-8-5-16(19(13-18)22(23)24)9-12-21-10-1-2-11-21/h3-9,12-13H,1-2,10-11,14H2
InChIKeyTWPWBTYYVJHQOM-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.89
Rot. Bonds6

About 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine

1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine (PubChem CID 175386456) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine
PubChem CID175386456
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine
SMILESO=[N+]([O-])c1cc(OCc2ccc(Cl)cc2)ccc1C=CN1CCCC1
InChIInChI=1S/C19H19ClN2O3/c20-17-6-3-15(4-7-17)14-25-18-8-5-16(19(13-18)22(23)24)9-12-21-10-1-2-11-21/h3-9,12-13H,1-2,10-11,14H2
InChIKeyTWPWBTYYVJHQOM-UHFFFAOYSA-N
XLogP4.89
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine
CID 54524825
5-[(4-chlorophenyl)methoxy]-2-nitrobenzoic acid
CID 65125040
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048
2-(chloromethyl)-1-nitro-4-phenylmethoxybenzene
CID 11832719
2-nitro-4-phenylmethoxybenzoic acid
CID 23545885
1-nitro-2-[(E)-2-nitro(213C)ethenyl]-4-phenylmethoxybenzene
CID 169444921
1-[3-(2-nitro-5-phenylmethoxyphenoxy)propyl]piperidine
CID 174719912
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]-1-nitrobenzene
CID 62115209
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine?
The IUPAC name of 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine (CID 175386456) is 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine is O=[N+]([O-])c1cc(OCc2ccc(Cl)cc2)ccc1C=CN1CCCC1.
What is the InChIKey of 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine?
The InChIKey is TWPWBTYYVJHQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-17-6-3-15(4-7-17)14-25-18-8-5-16(19(13-18)22(23)24)9-12-21-10-1-2-11-21/h3-9,12-13H,1-2,10-11,14H2.
What are the key properties of 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine?
1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine has a molecular weight of 358.83 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine is sourced from PubChem (CID 175386456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).