1H-indol-3-ylcarbamic acid

C9H8N2O2 — CID 66672709

IUPAC1H-indol-3-ylcarbamic acid
SMILESO=C(O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C9H8N2O2/c12-9(13)11-8-5-10-7-4-2-1-3-6(7)8/h1-5,10-11H,(H,12,13)
InChIKeyURWBEJAHOLLXRX-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.26
Rot. Bonds1

About 1H-indol-3-ylcarbamic acid

1H-indol-3-ylcarbamic acid (PubChem CID 66672709) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1H-indol-3-ylcarbamic acid.

Molecular Properties

Compound Name1H-indol-3-ylcarbamic acid
PubChem CID66672709
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1H-indol-3-ylcarbamic acid
SMILESO=C(O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C9H8N2O2/c12-9(13)11-8-5-10-7-4-2-1-3-6(7)8/h1-5,10-11H,(H,12,13)
InChIKeyURWBEJAHOLLXRX-UHFFFAOYSA-N
XLogP2.26
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

(1H-indol-3-ylamino)carbamic acid
CID 150338134
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
3-(1H-indol-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163934
N-methyl-1H-indol-3-amine;oxalic acid
CID 69068496
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
N-(1H-indol-3-yl)-2-methyl-2-(methylamino)propanamide
CID 115165574
1H-indol-3-ylthiourea;hydroiodide
CID 173290305

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylcarbamic acid?
The IUPAC name of 1H-indol-3-ylcarbamic acid (CID 66672709) is 1H-indol-3-ylcarbamic acid.
What is the SMILES notation for 1H-indol-3-ylcarbamic acid?
The canonical SMILES for 1H-indol-3-ylcarbamic acid is O=C(O)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-ylcarbamic acid?
The InChIKey is URWBEJAHOLLXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)11-8-5-10-7-4-2-1-3-6(7)8/h1-5,10-11H,(H,12,13).
What are the key properties of 1H-indol-3-ylcarbamic acid?
1H-indol-3-ylcarbamic acid has a molecular weight of 176.17 g/mol, XLogP of 2.26, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-ylcarbamic acid is sourced from PubChem (CID 66672709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).