acetic acid;1H-indole-6-carbonitrile

C11H10N2O2 — CID 175244295

IUPACacetic acid;1H-indole-6-carbonitrile
SMILESCC(=O)O.N#Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H6N2.C2H4O2/c10-6-7-1-2-8-3-4-11-9(8)5-7;1-2(3)4/h1-5,11H;1H3,(H,3,4)
InChIKeyJFDLKQDFDABEGV-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.13
Rot. Bonds

About acetic acid;1H-indole-6-carbonitrile

acetic acid;1H-indole-6-carbonitrile (PubChem CID 175244295) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is acetic acid;1H-indole-6-carbonitrile.

Molecular Properties

Compound Nameacetic acid;1H-indole-6-carbonitrile
PubChem CID175244295
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Nameacetic acid;1H-indole-6-carbonitrile
SMILESCC(=O)O.N#Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H6N2.C2H4O2/c10-6-7-1-2-8-3-4-11-9(8)5-7;1-2(3)4/h1-5,11H;1H3,(H,3,4)
InChIKeyJFDLKQDFDABEGV-UHFFFAOYSA-N
XLogP2.13
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1H-indole-6-carbonitrile?
The IUPAC name of acetic acid;1H-indole-6-carbonitrile (CID 175244295) is acetic acid;1H-indole-6-carbonitrile.
What is the SMILES notation for acetic acid;1H-indole-6-carbonitrile?
The canonical SMILES for acetic acid;1H-indole-6-carbonitrile is CC(=O)O.N#Cc1ccc2cc[nH]c2c1.
What is the InChIKey of acetic acid;1H-indole-6-carbonitrile?
The InChIKey is JFDLKQDFDABEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2.C2H4O2/c10-6-7-1-2-8-3-4-11-9(8)5-7;1-2(3)4/h1-5,11H;1H3,(H,3,4).
What are the key properties of acetic acid;1H-indole-6-carbonitrile?
acetic acid;1H-indole-6-carbonitrile has a molecular weight of 202.21 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1H-indole-6-carbonitrile is sourced from PubChem (CID 175244295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).