1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine

C18H20N2O — CID 90956572

IUPAC1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
SMILESO=NCc1ccc(-c2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O/c21-19-13-15-3-7-17(8-4-15)18-9-5-16(6-10-18)14-20-11-1-2-12-20/h3-10H,1-2,11-14H2
InChIKeyUSCNJDJTMVVBKY-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.22
Rot. Bonds5

About 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine

1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine (PubChem CID 90956572) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
PubChem CID90956572
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
SMILESO=NCc1ccc(-c2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O/c21-19-13-15-3-7-17(8-4-15)18-9-5-16(6-10-18)14-20-11-1-2-12-20/h3-10H,1-2,11-14H2
InChIKeyUSCNJDJTMVVBKY-UHFFFAOYSA-N
XLogP4.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25147728
1-[(4-methylphenyl)methyl]azepane
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ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110893080
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
1-[[4-(2-chloroethyl)phenyl]methyl]pyrrolidine
CID 69499407
1,1,3,3-tetramethyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111035331
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine (CID 90956572) is 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine is O=NCc1ccc(-c2ccc(CN3CCCC3)cc2)cc1.
What is the InChIKey of 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine?
The InChIKey is USCNJDJTMVVBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-19-13-15-3-7-17(8-4-15)18-9-5-16(6-10-18)14-20-11-1-2-12-20/h3-10H,1-2,11-14H2.
What are the key properties of 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine?
1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine has a molecular weight of 280.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine is sourced from PubChem (CID 90956572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).