1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one

C16H14N2O2 — CID 91934419

IUPAC1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one
SMILESCc1cccc(CN2C(=O)C(N=O)c3ccccc32)c1
InChIInChI=1S/C16H14N2O2/c1-11-5-4-6-12(9-11)10-18-14-8-3-2-7-13(14)15(17-20)16(18)19/h2-9,15H,10H2,1H3
InChIKeyUNKPTFFOMJTTFC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.35
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one

1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one (PubChem CID 91934419) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one
PubChem CID91934419
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one
SMILESCc1cccc(CN2C(=O)C(N=O)c3ccccc32)c1
InChIInChI=1S/C16H14N2O2/c1-11-5-4-6-12(9-11)10-18-14-8-3-2-7-13(14)15(17-20)16(18)19/h2-9,15H,10H2,1H3
InChIKeyUNKPTFFOMJTTFC-UHFFFAOYSA-N
XLogP3.35
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one (CID 91934419) is 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one is Cc1cccc(CN2C(=O)C(N=O)c3ccccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one?
The InChIKey is UNKPTFFOMJTTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-5-4-6-12(9-11)10-18-14-8-3-2-7-13(14)15(17-20)16(18)19/h2-9,15H,10H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one?
1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one is sourced from PubChem (CID 91934419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).