N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide

C14H17N3O2 — CID 107917557

IUPACN'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide
SMILESN/C(=N/O)c1ccc2ccn(CC3CCCO3)c2c1
InChIInChI=1S/C14H17N3O2/c15-14(16-18)11-4-3-10-5-6-17(13(10)8-11)9-12-2-1-7-19-12/h3-6,8,12,18H,1-2,7,9H2,(H2,15,16)
InChIKeyQLMWIRXDZVFLAJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.91
Rot. Bonds3

About N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide

N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide (PubChem CID 107917557) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide
PubChem CID107917557
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide
SMILESN/C(=N/O)c1ccc2ccn(CC3CCCO3)c2c1
InChIInChI=1S/C14H17N3O2/c15-14(16-18)11-4-3-10-5-6-17(13(10)8-11)9-12-2-1-7-19-12/h3-6,8,12,18H,1-2,7,9H2,(H2,15,16)
InChIKeyQLMWIRXDZVFLAJ-UHFFFAOYSA-N
XLogP1.91
TPSA72.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.91
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

1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide
CID 107917535
1-(oxan-2-ylmethyl)indole-6-carboxylic acid
CID 63936403
6-fluoro-1-(oxolan-2-ylmethyl)indole
CID 116619846
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
N'-hydroxy-1-(2-methylsulfonylethyl)indole-6-carboximidamide
CID 107917533
N'-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboximidamide
CID 162366396
1-[(2-bromophenyl)methyl]-N'-hydroxyindole-6-carboximidamide
CID 107917634
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboximidamide
CID 107917531
1-[(5,5-dimethyloxolan-2-yl)methyl]indole-6-carbothioamide
CID 107917461
1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine
CID 102917685
1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164582

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide?
The IUPAC name of N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide (CID 107917557) is N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide is N/C(=N/O)c1ccc2ccn(CC3CCCO3)c2c1.
What is the InChIKey of N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide?
The InChIKey is QLMWIRXDZVFLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-14(16-18)11-4-3-10-5-6-17(13(10)8-11)9-12-2-1-7-19-12/h3-6,8,12,18H,1-2,7,9H2,(H2,15,16).
What are the key properties of N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide?
N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide has a molecular weight of 259.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(oxolan-2-ylmethyl)indole-6-carboximidamide is sourced from PubChem (CID 107917557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).