formic acid;1H-indole

C9H9NO2 — CID 146381063

IUPACformic acid;1H-indole
SMILESO=CO.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.CH2O2/c1-2-4-8-7(3-1)5-6-9-8;2-1-3/h1-6,9H;1H,(H,2,3)
InChIKeyXVMKYUCBGVLGRY-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.87
Rot. Bonds

About formic acid;1H-indole

formic acid;1H-indole (PubChem CID 146381063) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is formic acid;1H-indole.

Molecular Properties

Compound Nameformic acid;1H-indole
PubChem CID146381063
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Nameformic acid;1H-indole
SMILESO=CO.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.CH2O2/c1-2-4-8-7(3-1)5-6-9-8;2-1-3/h1-6,9H;1H,(H,2,3)
InChIKeyXVMKYUCBGVLGRY-UHFFFAOYSA-N
XLogP1.87
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;1H-indole
CID 22501409
bis(1H-indole);methanol
CID 70305490
1H-indole;oxozinc
CID 174920230
1H-indole;dihydrochloride
CID 18796541
cesium;1H-indole;hydroxide
CID 175329356
CID 174930358
CID 174930358
disodium;tris(1H-indole);sulfide
CID 67840647
carbamic acid;1H-indole
CID 66672708
1H-indole;oxalyl dichloride
CID 87707386
acetic acid;bis(1H-indole)
CID 162014067
acetic acid;1H-indole
CID 67663544
ethane;1H-indole;methane
CID 169425426

Frequently Asked Questions

What is the IUPAC name of formic acid;1H-indole?
The IUPAC name of formic acid;1H-indole (CID 146381063) is formic acid;1H-indole.
What is the SMILES notation for formic acid;1H-indole?
The canonical SMILES for formic acid;1H-indole is O=CO.c1ccc2[nH]ccc2c1.
What is the InChIKey of formic acid;1H-indole?
The InChIKey is XVMKYUCBGVLGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.CH2O2/c1-2-4-8-7(3-1)5-6-9-8;2-1-3/h1-6,9H;1H,(H,2,3).
What are the key properties of formic acid;1H-indole?
formic acid;1H-indole has a molecular weight of 163.18 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1H-indole is sourced from PubChem (CID 146381063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).