(2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone

C11H8N2O2 — CID 101079925

IUPAC(2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=Nc1ccccc1C(=O)c1cc[nH]c1
InChIInChI=1S/C11H8N2O2/c14-11(8-5-6-12-7-8)9-3-1-2-4-10(9)13-15/h1-7,12H
InChIKeyNYJNBQSCBCUYJJ-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.64
Rot. Bonds3

About (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone

(2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone (PubChem CID 101079925) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone
PubChem CID101079925
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name(2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=Nc1ccccc1C(=O)c1cc[nH]c1
InChIInChI=1S/C11H8N2O2/c14-11(8-5-6-12-7-8)9-3-1-2-4-10(9)13-15/h1-7,12H
InChIKeyNYJNBQSCBCUYJJ-UHFFFAOYSA-N
XLogP2.64
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone (CID 101079925) is (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone is O=Nc1ccccc1C(=O)c1cc[nH]c1.
What is the InChIKey of (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is NYJNBQSCBCUYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-11(8-5-6-12-7-8)9-3-1-2-4-10(9)13-15/h1-7,12H.
What are the key properties of (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone?
(2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 200.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrosophenyl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 101079925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).