N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide

C12H13N3O — CID 141242413

IUPACN'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide
SMILESN/C(=N\O)c1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C12H13N3O/c13-12(15-16)7-4-5-11-9(6-7)8-2-1-3-10(8)14-11/h4-6,14,16H,1-3H2,(H2,13,15)
InChIKeyZWBGFLPRHLVTOO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.75
Rot. Bonds1

About N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide

N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide (PubChem CID 141242413) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide
PubChem CID141242413
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide
SMILESN/C(=N\O)c1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C12H13N3O/c13-12(15-16)7-4-5-11-9(6-7)8-2-1-3-10(8)14-11/h4-6,14,16H,1-3H2,(H2,13,15)
InChIKeyZWBGFLPRHLVTOO-UHFFFAOYSA-N
XLogP1.75
TPSA74.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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 N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide?
The IUPAC name of N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide (CID 141242413) is N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide?
The canonical SMILES for N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide is N/C(=N\O)c1ccc2[nH]c3c(c2c1)CCC3.
What is the InChIKey of N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide?
The InChIKey is ZWBGFLPRHLVTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(15-16)7-4-5-11-9(6-7)8-2-1-3-10(8)14-11/h4-6,14,16H,1-3H2,(H2,13,15).
What are the key properties of N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide?
N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide has a molecular weight of 215.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide is sourced from PubChem (CID 141242413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).