N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide

C11H15N3O2 — CID 129499778

IUPACN'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide
SMILESCOc1cccc2c1CCN2CC(N)=NO
InChIInChI=1S/C11H15N3O2/c1-16-10-4-2-3-9-8(10)5-6-14(9)7-11(12)13-15/h2-4,15H,5-7H2,1H3,(H2,12,13)
InChIKeyUCGXWRUALMCKCY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.80
Rot. Bonds3

About N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide

N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide (PubChem CID 129499778) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide
PubChem CID129499778
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide
SMILESCOc1cccc2c1CCN2CC(N)=NO
InChIInChI=1S/C11H15N3O2/c1-16-10-4-2-3-9-8(10)5-6-14(9)7-11(12)13-15/h2-4,15H,5-7H2,1H3,(H2,12,13)
InChIKeyUCGXWRUALMCKCY-UHFFFAOYSA-N
XLogP0.80
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377
1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole
CID 121202419
2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid
CID 121202435
N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76883662
(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 129494804
4-ethoxy-1-ethyl-2,3-dihydroindole
CID 59678208
2-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 71844273
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline
CID 66847065
2-(2,3-dihydroindol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43228012
4-(methoxymethoxy)-1-methyl-2,3-dihydroindole
CID 146317984

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide (CID 129499778) is N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide is COc1cccc2c1CCN2CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide?
The InChIKey is UCGXWRUALMCKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-10-4-2-3-9-8(10)5-6-14(9)7-11(12)13-15/h2-4,15H,5-7H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide?
N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide has a molecular weight of 221.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide is sourced from PubChem (CID 129499778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).