[(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate

C11H10ClNO2 — CID 76738695

IUPAC[(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate
SMILESCC(=O)ON=C1CCc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO2/c1-7(14)15-13-11-5-2-8-6-9(12)3-4-10(8)11/h3-4,6H,2,5H2,1H3
InChIKeyZSKAUMBVEFWUCJ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.55
Rot. Bonds1

About [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate

[(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate (PubChem CID 76738695) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate.

Molecular Properties

Compound Name[(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate
PubChem CID76738695
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name[(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate
SMILESCC(=O)ON=C1CCc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO2/c1-7(14)15-13-11-5-2-8-6-9(12)3-4-10(8)11/h3-4,6H,2,5H2,1H3
InChIKeyZSKAUMBVEFWUCJ-UHFFFAOYSA-N
XLogP2.55
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino] acetate
CID 58276078
N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane
CID 174673437
[(1E)-1-acetyloxyimino-2,3-dihydroinden-4-yl] acetate;[(E)-(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate;[(E)-(5,6-dimethyl-2,3-dihydroinden-1-ylidene)amino] acetate;[(E)-(4-methoxy-5,6-dimethyl-2,3-dihydroinden-1-ylidene)amino] acetate;bis([(E)-(4-methoxy-5-methyl-2,3-dihydroinden-1-ylidene)amino] acetate);[(E)-(7-methoxy-5-methyl-2,3-dihydroinden-1-ylidene)amino] acetate;[(E)-(6-methyl-2,3-dihydroinden-1-ylidene)amino] acetate
CID 172917339
[(E)-2,3-dihydroinden-1-ylideneamino] N-(3-chlorophenyl)carbamate
CID 5404037
[(E)-(7-methyl-1-oxo-3,4-dihydrophenanthren-2-ylidene)amino] acetate
CID 58489988
[(5-methoxy-2,3-dihydroinden-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 2876981
(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 91622608
6-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 14957672
4-[(2-acetyloxyimino-1-oxo-3H-inden-5-yl)sulfanyl]benzenecarbothioic S-acid
CID 144797804
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 46177135
[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate
CID 58276056
1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione
CID 53420150

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate?
The IUPAC name of [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate (CID 76738695) is [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate.
What is the SMILES notation for [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate?
The canonical SMILES for [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate is CC(=O)ON=C1CCc2cc(Cl)ccc21.
What is the InChIKey of [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate?
The InChIKey is ZSKAUMBVEFWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-7(14)15-13-11-5-2-8-6-9(12)3-4-10(8)11/h3-4,6H,2,5H2,1H3.
What are the key properties of [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate?
[(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate has a molecular weight of 223.66 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate is sourced from PubChem (CID 76738695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).