2-cyclopropyl-6-methyl-4-nitrosobenzoic acid

C11H11NO3 — CID 143627426

IUPAC2-cyclopropyl-6-methyl-4-nitrosobenzoic acid
SMILESCc1cc(N=O)cc(C2CC2)c1C(=O)O
InChIInChI=1S/C11H11NO3/c1-6-4-8(12-15)5-9(7-2-3-7)10(6)11(13)14/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyAURCXQFGHGUHKI-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.97
Rot. Bonds3

About 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid

2-cyclopropyl-6-methyl-4-nitrosobenzoic acid (PubChem CID 143627426) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-4-nitrosobenzoic acid
PubChem CID143627426
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-cyclopropyl-6-methyl-4-nitrosobenzoic acid
SMILESCc1cc(N=O)cc(C2CC2)c1C(=O)O
InChIInChI=1S/C11H11NO3/c1-6-4-8(12-15)5-9(7-2-3-7)10(6)11(13)14/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyAURCXQFGHGUHKI-UHFFFAOYSA-N
XLogP2.97
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid?
The IUPAC name of 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid (CID 143627426) is 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid.
What is the SMILES notation for 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid?
The canonical SMILES for 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid is Cc1cc(N=O)cc(C2CC2)c1C(=O)O.
What is the InChIKey of 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid?
The InChIKey is AURCXQFGHGUHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-4-8(12-15)5-9(7-2-3-7)10(6)11(13)14/h4-5,7H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid?
2-cyclopropyl-6-methyl-4-nitrosobenzoic acid has a molecular weight of 205.21 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-4-nitrosobenzoic acid is sourced from PubChem (CID 143627426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).