1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine

C18H26N2O — CID 91532833

IUPAC1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine
SMILESO=NCC1CCC(C(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C18H26N2O/c21-19-14-15-8-10-17(11-9-15)18(20-12-4-5-13-20)16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2
InChIKeyYSNDARLYAYQFOA-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.40
Rot. Bonds5

About 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine

1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine (PubChem CID 91532833) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine
PubChem CID91532833
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine
SMILESO=NCC1CCC(C(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C18H26N2O/c21-19-14-15-8-10-17(11-9-15)18(20-12-4-5-13-20)16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2
InChIKeyYSNDARLYAYQFOA-UHFFFAOYSA-N
XLogP4.40
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine?
The IUPAC name of 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine (CID 91532833) is 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine.
What is the SMILES notation for 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine?
The canonical SMILES for 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine is O=NCC1CCC(C(c2ccccc2)N2CCCC2)CC1.
What is the InChIKey of 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine?
The InChIKey is YSNDARLYAYQFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-19-14-15-8-10-17(11-9-15)18(20-12-4-5-13-20)16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2.
What are the key properties of 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine?
1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine has a molecular weight of 286.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(nitrosomethyl)cyclohexyl]-phenylmethyl]pyrrolidine is sourced from PubChem (CID 91532833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).