1-(methoxyamino)-3H-indene-5-carbaldehyde

C11H11NO2 — CID 91391618

IUPAC1-(methoxyamino)-3H-indene-5-carbaldehyde
SMILESCONC1=CCc2cc(C=O)ccc21
InChIInChI=1S/C11H11NO2/c1-14-12-11-5-3-9-6-8(7-13)2-4-10(9)11/h2,4-7,12H,3H2,1H3
InChIKeyUFALOBCJRLXUCM-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.55
Rot. Bonds3

About 1-(methoxyamino)-3H-indene-5-carbaldehyde

1-(methoxyamino)-3H-indene-5-carbaldehyde (PubChem CID 91391618) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(methoxyamino)-3H-indene-5-carbaldehyde.

Molecular Properties

Compound Name1-(methoxyamino)-3H-indene-5-carbaldehyde
PubChem CID91391618
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(methoxyamino)-3H-indene-5-carbaldehyde
SMILESCONC1=CCc2cc(C=O)ccc21
InChIInChI=1S/C11H11NO2/c1-14-12-11-5-3-9-6-8(7-13)2-4-10(9)11/h2,4-7,12H,3H2,1H3
InChIKeyUFALOBCJRLXUCM-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-(2-methoxy-3,4-dimethylphenyl)-3-methylbenzaldehyde
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4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
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3-methyl-4-(4-methylphenyl)benzaldehyde
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4-(hydroperoxyamino)benzaldehyde
CID 20722953
(4Z)-4-ethyl-3,6-dihydro-2H-1-benzothiocine-8-carbaldehyde
CID 89078340
4-(3-ethoxyphenyl)-3-methylbenzaldehyde
CID 81448039
3-(1-aminoethyl)-4-methoxybenzaldehyde
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tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
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4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
CID 62122305

Frequently Asked Questions

What is the IUPAC name of 1-(methoxyamino)-3H-indene-5-carbaldehyde?
The IUPAC name of 1-(methoxyamino)-3H-indene-5-carbaldehyde (CID 91391618) is 1-(methoxyamino)-3H-indene-5-carbaldehyde.
What is the SMILES notation for 1-(methoxyamino)-3H-indene-5-carbaldehyde?
The canonical SMILES for 1-(methoxyamino)-3H-indene-5-carbaldehyde is CONC1=CCc2cc(C=O)ccc21.
What is the InChIKey of 1-(methoxyamino)-3H-indene-5-carbaldehyde?
The InChIKey is UFALOBCJRLXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-12-11-5-3-9-6-8(7-13)2-4-10(9)11/h2,4-7,12H,3H2,1H3.
What are the key properties of 1-(methoxyamino)-3H-indene-5-carbaldehyde?
1-(methoxyamino)-3H-indene-5-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxyamino)-3H-indene-5-carbaldehyde is sourced from PubChem (CID 91391618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).