1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide

C15H19N3O — CID 107917535

IUPAC1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide
SMILESN/C(=N/O)c1ccc2ccn(CC3CCCC3)c2c1
InChIInChI=1S/C15H19N3O/c16-15(17-19)13-6-5-12-7-8-18(14(12)9-13)10-11-3-1-2-4-11/h5-9,11,19H,1-4,10H2,(H2,16,17)
InChIKeyOILRXWIUHWCNFU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.93
Rot. Bonds3

About 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide

1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide (PubChem CID 107917535) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide
PubChem CID107917535
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide
SMILESN/C(=N/O)c1ccc2ccn(CC3CCCC3)c2c1
InChIInChI=1S/C15H19N3O/c16-15(17-19)13-6-5-12-7-8-18(14(12)9-13)10-11-3-1-2-4-11/h5-9,11,19H,1-4,10H2,(H2,16,17)
InChIKeyOILRXWIUHWCNFU-UHFFFAOYSA-N
XLogP2.93
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide?
The IUPAC name of 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide (CID 107917535) is 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide.
What is the SMILES notation for 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide?
The canonical SMILES for 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide is N/C(=N/O)c1ccc2ccn(CC3CCCC3)c2c1.
What is the InChIKey of 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide?
The InChIKey is OILRXWIUHWCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-15(17-19)13-6-5-12-7-8-18(14(12)9-13)10-11-3-1-2-4-11/h5-9,11,19H,1-4,10H2,(H2,16,17).
What are the key properties of 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide?
1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide has a molecular weight of 257.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-N'-hydroxyindole-6-carboximidamide is sourced from PubChem (CID 107917535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).