2,3-dihydroindol-1-ylurea

C9H11N3O — CID 22353227

IUPAC2,3-dihydroindol-1-ylurea
SMILESNC(=O)NN1CCc2ccccc21
InChIInChI=1S/C9H11N3O/c10-9(13)11-12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2,(H3,10,11,13)
InChIKeyLXTAUDGSYVKINH-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.63
Rot. Bonds1

About 2,3-dihydroindol-1-ylurea

2,3-dihydroindol-1-ylurea (PubChem CID 22353227) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2,3-dihydroindol-1-ylurea.

Molecular Properties

Compound Name2,3-dihydroindol-1-ylurea
PubChem CID22353227
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2,3-dihydroindol-1-ylurea
SMILESNC(=O)NN1CCc2ccccc21
InChIInChI=1S/C9H11N3O/c10-9(13)11-12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2,(H3,10,11,13)
InChIKeyLXTAUDGSYVKINH-UHFFFAOYSA-N
XLogP0.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydroindol-1-ylurea 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

3,4-dihydro-2H-quinolin-1-ylurea
CID 19747645
3,4-dihydro-2H-quinolin-1-ylcarbamic acid
CID 67189387
N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 25099397
N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
CID 5028392
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
N-(2,3-dihydroindol-1-yl)-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
CID 139369052
2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
CID 82040813
2,3-dihydroindole-1-carbothioic S-acid;propanamide
CID 87347076
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-ylurea?
The IUPAC name of 2,3-dihydroindol-1-ylurea (CID 22353227) is 2,3-dihydroindol-1-ylurea.
What is the SMILES notation for 2,3-dihydroindol-1-ylurea?
The canonical SMILES for 2,3-dihydroindol-1-ylurea is NC(=O)NN1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-ylurea?
The InChIKey is LXTAUDGSYVKINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-9(13)11-12-6-5-7-3-1-2-4-8(7)12/h1-4H,5-6H2,(H3,10,11,13).
What are the key properties of 2,3-dihydroindol-1-ylurea?
2,3-dihydroindol-1-ylurea has a molecular weight of 177.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-ylurea is sourced from PubChem (CID 22353227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).