chloro acetate;3-iminoisoindol-1-amine

C10H10ClN3O2 — CID 174364510

IUPACchloro acetate;3-iminoisoindol-1-amine
SMILESCC(=O)OCl.[H]/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/C8H7N3.C2H3ClO2/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2(4)5-3/h1-4H,(H3,9,10,11);1H3
InChIKeySRSGZCGMXKDNOD-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.43
Rot. Bonds

About chloro acetate;3-iminoisoindol-1-amine

chloro acetate;3-iminoisoindol-1-amine (PubChem CID 174364510) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is chloro acetate;3-iminoisoindol-1-amine.

Molecular Properties

Compound Namechloro acetate;3-iminoisoindol-1-amine
PubChem CID174364510
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Namechloro acetate;3-iminoisoindol-1-amine
SMILESCC(=O)OCl.[H]/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/C8H7N3.C2H3ClO2/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2(4)5-3/h1-4H,(H3,9,10,11);1H3
InChIKeySRSGZCGMXKDNOD-UHFFFAOYSA-N
XLogP1.43
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-iminoisoindol-1-amine
CID 139180243
3-iminoisoindol-1-amine;2-phenoxyacetic acid
CID 70201517
4-ethoxy-4-oxobutanoic acid;3-iminoisoindol-1-amine
CID 70196856
3-iminoisoindole-1,4-diamine
CID 173277790
CID 21470845
CID 21470845
CID 21470878
CID 21470878
7-fluoro-3-iminoisoindol-1-amine
CID 139654062
3-imino-6-phenoxybenzo[f]isoindol-1-amine
CID 163406159
3-imino-5-(4-methylphenyl)sulfanylisoindol-1-amine
CID 10706952
5-heptoxy-3-iminoisoindol-1-amine
CID 139672262
3-ethylsulfanylisoindol-1-imine
CID 119093280
chloro acetate;chloro benzoate
CID 68991315

Frequently Asked Questions

What is the IUPAC name of chloro acetate;3-iminoisoindol-1-amine?
The IUPAC name of chloro acetate;3-iminoisoindol-1-amine (CID 174364510) is chloro acetate;3-iminoisoindol-1-amine.
What is the SMILES notation for chloro acetate;3-iminoisoindol-1-amine?
The canonical SMILES for chloro acetate;3-iminoisoindol-1-amine is CC(=O)OCl.[H]/N=C1\N=C(N)c2ccccc21.
What is the InChIKey of chloro acetate;3-iminoisoindol-1-amine?
The InChIKey is SRSGZCGMXKDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C2H3ClO2/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2(4)5-3/h1-4H,(H3,9,10,11);1H3.
What are the key properties of chloro acetate;3-iminoisoindol-1-amine?
chloro acetate;3-iminoisoindol-1-amine has a molecular weight of 239.66 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro acetate;3-iminoisoindol-1-amine is sourced from PubChem (CID 174364510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).