2-(2-methyl-1-nitrosoindol-3-yl)acetic acid

C11H10N2O3 — CID 175678995

IUPAC2-(2-methyl-1-nitrosoindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1N=O
InChIInChI=1S/C11H10N2O3/c1-7-9(6-11(14)15)8-4-2-3-5-10(8)13(7)12-16/h2-5H,6H2,1H3,(H,14,15)
InChIKeyHYCUIPRHHCDWLE-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.11
Rot. Bonds3

About 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid

2-(2-methyl-1-nitrosoindol-3-yl)acetic acid (PubChem CID 175678995) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1-nitrosoindol-3-yl)acetic acid
PubChem CID175678995
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(2-methyl-1-nitrosoindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2ccccc2n1N=O
InChIInChI=1S/C11H10N2O3/c1-7-9(6-11(14)15)8-4-2-3-5-10(8)13(7)12-16/h2-5H,6H2,1H3,(H,14,15)
InChIKeyHYCUIPRHHCDWLE-UHFFFAOYSA-N
XLogP2.11
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82247809
2-[2-methyl-1-(4-nitrobenzoyl)indol-3-yl]acetic acid
CID 23092919
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-[2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid
CID 68956846
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
CID 10541758
2-[1-(7-chloroquinazolin-4-yl)-2-methylindol-3-yl]acetic acid
CID 10126045
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid
CID 83886975
2-(3-chloro-1-methylindol-2-yl)acetic acid
CID 83891410

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid (CID 175678995) is 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid is Cc1c(CC(=O)O)c2ccccc2n1N=O.
What is the InChIKey of 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid?
The InChIKey is HYCUIPRHHCDWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-9(6-11(14)15)8-4-2-3-5-10(8)13(7)12-16/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid?
2-(2-methyl-1-nitrosoindol-3-yl)acetic acid has a molecular weight of 218.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-nitrosoindol-3-yl)acetic acid is sourced from PubChem (CID 175678995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).