2,3-dihydroinden-1-one;sulfamic acid

C9H11NO4S — CID 159659034

IUPAC2,3-dihydroinden-1-one;sulfamic acid
SMILESNS(=O)(=O)O.O=C1CCc2ccccc21
InChIInChI=1S/C9H8O.H3NO3S/c10-9-6-5-7-3-1-2-4-8(7)9;1-5(2,3)4/h1-4H,5-6H2;(H3,1,2,3,4)
InChIKeyMSOBWCSFARDKKQ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.56
Rot. Bonds

About 2,3-dihydroinden-1-one;sulfamic acid

2,3-dihydroinden-1-one;sulfamic acid (PubChem CID 159659034) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2,3-dihydroinden-1-one;sulfamic acid.

Molecular Properties

Compound Name2,3-dihydroinden-1-one;sulfamic acid
PubChem CID159659034
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2,3-dihydroinden-1-one;sulfamic acid
SMILESNS(=O)(=O)O.O=C1CCc2ccccc21
InChIInChI=1S/C9H8O.H3NO3S/c10-9-6-5-7-3-1-2-4-8(7)9;1-5(2,3)4/h1-4H,5-6H2;(H3,1,2,3,4)
InChIKeyMSOBWCSFARDKKQ-UHFFFAOYSA-N
XLogP0.56
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2,3-dihydroinden-1-one;sulfamic acid 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

9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole
CID 67971280
7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
CID 13190621
3,4-dihydro-2H-naphthalen-1-one;2,2,2-trifluoroacetamide
CID 143654538
2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide
CID 159067911
5-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22337735
naphthalene;sulfamic acid
CID 67895351
9,10-dihydrophenanthrene;ethane
CID 143759681
benzene;cyclohexane;cyclohexanone;cyclopentane;cyclopentanone;2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 159746722
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
1,2,4,5,6,7-hexahydro-4-benzazecine-3,8-dione
CID 154328420

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroinden-1-one;sulfamic acid?
The IUPAC name of 2,3-dihydroinden-1-one;sulfamic acid (CID 159659034) is 2,3-dihydroinden-1-one;sulfamic acid.
What is the SMILES notation for 2,3-dihydroinden-1-one;sulfamic acid?
The canonical SMILES for 2,3-dihydroinden-1-one;sulfamic acid is NS(=O)(=O)O.O=C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroinden-1-one;sulfamic acid?
The InChIKey is MSOBWCSFARDKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.H3NO3S/c10-9-6-5-7-3-1-2-4-8(7)9;1-5(2,3)4/h1-4H,5-6H2;(H3,1,2,3,4).
What are the key properties of 2,3-dihydroinden-1-one;sulfamic acid?
2,3-dihydroinden-1-one;sulfamic acid has a molecular weight of 229.26 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroinden-1-one;sulfamic acid is sourced from PubChem (CID 159659034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).