(2,3,3-trimethylindol-5-yl)carbamic acid

C12H14N2O2 — CID 174208584

IUPAC(2,3,3-trimethylindol-5-yl)carbamic acid
SMILESCC1=Nc2ccc(NC(=O)O)cc2C1(C)C
InChIInChI=1S/C12H14N2O2/c1-7-12(2,3)9-6-8(14-11(15)16)4-5-10(9)13-7/h4-6,14H,1-3H3,(H,15,16)
InChIKeyAONJJFRDIHVGFL-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.16
Rot. Bonds1

About (2,3,3-trimethylindol-5-yl)carbamic acid

(2,3,3-trimethylindol-5-yl)carbamic acid (PubChem CID 174208584) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (2,3,3-trimethylindol-5-yl)carbamic acid.

Molecular Properties

Compound Name(2,3,3-trimethylindol-5-yl)carbamic acid
PubChem CID174208584
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(2,3,3-trimethylindol-5-yl)carbamic acid
SMILESCC1=Nc2ccc(NC(=O)O)cc2C1(C)C
InChIInChI=1S/C12H14N2O2/c1-7-12(2,3)9-6-8(14-11(15)16)4-5-10(9)13-7/h4-6,14H,1-3H3,(H,15,16)
InChIKeyAONJJFRDIHVGFL-UHFFFAOYSA-N
XLogP3.16
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3,3-trimethylindol-5-yl)carbamic acid?
The IUPAC name of (2,3,3-trimethylindol-5-yl)carbamic acid (CID 174208584) is (2,3,3-trimethylindol-5-yl)carbamic acid.
What is the SMILES notation for (2,3,3-trimethylindol-5-yl)carbamic acid?
The canonical SMILES for (2,3,3-trimethylindol-5-yl)carbamic acid is CC1=Nc2ccc(NC(=O)O)cc2C1(C)C.
What is the InChIKey of (2,3,3-trimethylindol-5-yl)carbamic acid?
The InChIKey is AONJJFRDIHVGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-12(2,3)9-6-8(14-11(15)16)4-5-10(9)13-7/h4-6,14H,1-3H3,(H,15,16).
What are the key properties of (2,3,3-trimethylindol-5-yl)carbamic acid?
(2,3,3-trimethylindol-5-yl)carbamic acid has a molecular weight of 218.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3-trimethylindol-5-yl)carbamic acid is sourced from PubChem (CID 174208584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).