acetic acid;bis(1H-indole)

C18H18N2O2 — CID 162014067

IUPACacetic acid;bis(1H-indole)
SMILESCC(=O)O.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/2C8H7N.C2H4O2/c2*1-2-4-8-7(3-1)5-6-9-8;1-2(3)4/h2*1-6,9H;1H3,(H,3,4)
InChIKeyYTWDDRXDGCIGAI-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.43
Rot. Bonds

About acetic acid;bis(1H-indole)

acetic acid;bis(1H-indole) (PubChem CID 162014067) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is acetic acid;bis(1H-indole).

Molecular Properties

Compound Nameacetic acid;bis(1H-indole)
PubChem CID162014067
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameacetic acid;bis(1H-indole)
SMILESCC(=O)O.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/2C8H7N.C2H4O2/c2*1-2-4-8-7(3-1)5-6-9-8;1-2(3)4/h2*1-6,9H;1H3,(H,3,4)
InChIKeyYTWDDRXDGCIGAI-UHFFFAOYSA-N
XLogP4.43
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze acetic acid;bis(1H-indole) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;1H-indole
CID 67663544
carbamic acid;1H-indole
CID 66672708
bis(1H-indole);methanol
CID 70305490
1H-indole;2-oxopropanoyl chloride
CID 143293579
1H-indole;oxalyl dichloride
CID 87707386
2-aminoacetic acid;1H-indole
CID 118109552
1H-indole;oxozinc
CID 174920230
ethane;1H-indole;methane
CID 169425426
1H-indole;dihydrochloride
CID 18796541
acetic acid;1H-indole;quinoline-2-carboxylic acid
CID 175370124
formic acid;1H-indole
CID 146381063
acetaldehyde;1H-indole
CID 22501409

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(1H-indole)?
The IUPAC name of acetic acid;bis(1H-indole) (CID 162014067) is acetic acid;bis(1H-indole).
What is the SMILES notation for acetic acid;bis(1H-indole)?
The canonical SMILES for acetic acid;bis(1H-indole) is CC(=O)O.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of acetic acid;bis(1H-indole)?
The InChIKey is YTWDDRXDGCIGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.C2H4O2/c2*1-2-4-8-7(3-1)5-6-9-8;1-2(3)4/h2*1-6,9H;1H3,(H,3,4).
What are the key properties of acetic acid;bis(1H-indole)?
acetic acid;bis(1H-indole) has a molecular weight of 294.35 g/mol, XLogP of 4.43, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(1H-indole) is sourced from PubChem (CID 162014067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).