N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide

C12H11N3O2 — CID 922351

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)C1CC1
InChIInChI=1S/C12H11N3O2/c16-11(7-5-6-7)15-14-10-8-3-1-2-4-9(8)13-12(10)17/h1-4,7,13,17H,5-6H2/b15-14+
InChIKeyUBBNIMDGDAVPPN-CCEZHUSRSA-N
MW229.24 g/mol
LogP2.89
Rot. Bonds2

About N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide

N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide (PubChem CID 922351) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
PubChem CID922351
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)C1CC1
InChIInChI=1S/C12H11N3O2/c16-11(7-5-6-7)15-14-10-8-3-1-2-4-9(8)13-12(10)17/h1-4,7,13,17H,5-6H2/b15-14+
InChIKeyUBBNIMDGDAVPPN-CCEZHUSRSA-N
XLogP2.89
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide (CID 922351) is N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)C1CC1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide?
The InChIKey is UBBNIMDGDAVPPN-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11(7-5-6-7)15-14-10-8-3-1-2-4-9(8)13-12(10)17/h1-4,7,13,17H,5-6H2/b15-14+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide has a molecular weight of 229.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide is sourced from PubChem (CID 922351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).