(2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine

C11H14N2O — CID 88991187

IUPAC(2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine
SMILESC[C@H]1CCCN1c1cccc(N=O)c1
InChIInChI=1S/C11H14N2O/c1-9-4-3-7-13(9)11-6-2-5-10(8-11)12-14/h2,5-6,8-9H,3-4,7H2,1H3/t9-/m0/s1
InChIKeyVBAAAKDVTYSLJD-VIFPVBQESA-N
MW190.25 g/mol
LogP3.07
Rot. Bonds2

About (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine

(2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine (PubChem CID 88991187) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine
PubChem CID88991187
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine
SMILESC[C@H]1CCCN1c1cccc(N=O)c1
InChIInChI=1S/C11H14N2O/c1-9-4-3-7-13(9)11-6-2-5-10(8-11)12-14/h2,5-6,8-9H,3-4,7H2,1H3/t9-/m0/s1
InChIKeyVBAAAKDVTYSLJD-VIFPVBQESA-N
XLogP3.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine?
The IUPAC name of (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine (CID 88991187) is (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine?
The canonical SMILES for (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine is C[C@H]1CCCN1c1cccc(N=O)c1.
What is the InChIKey of (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine?
The InChIKey is VBAAAKDVTYSLJD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-4-3-7-13(9)11-6-2-5-10(8-11)12-14/h2,5-6,8-9H,3-4,7H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine?
(2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine has a molecular weight of 190.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine is sourced from PubChem (CID 88991187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).