1H-indol-2-ylurea

C9H9N3O — CID 21191320

IUPAC1H-indol-2-ylurea
SMILESNC(=O)Nc1cc2ccccc2[nH]1
InChIInChI=1S/C9H9N3O/c10-9(13)12-8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H3,10,12,13)
InChIKeyZGMSLRPPUJSIGP-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.66
Rot. Bonds1

About 1H-indol-2-ylurea

1H-indol-2-ylurea (PubChem CID 21191320) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1H-indol-2-ylurea.

Molecular Properties

Compound Name1H-indol-2-ylurea
PubChem CID21191320
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1H-indol-2-ylurea
SMILESNC(=O)Nc1cc2ccccc2[nH]1
InChIInChI=1S/C9H9N3O/c10-9(13)12-8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H3,10,12,13)
InChIKeyZGMSLRPPUJSIGP-UHFFFAOYSA-N
XLogP1.66
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-ylurea?
The IUPAC name of 1H-indol-2-ylurea (CID 21191320) is 1H-indol-2-ylurea.
What is the SMILES notation for 1H-indol-2-ylurea?
The canonical SMILES for 1H-indol-2-ylurea is NC(=O)Nc1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-ylurea?
The InChIKey is ZGMSLRPPUJSIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-9(13)12-8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H3,10,12,13).
What are the key properties of 1H-indol-2-ylurea?
1H-indol-2-ylurea has a molecular weight of 175.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-ylurea is sourced from PubChem (CID 21191320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).