2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one

C14H13NO2 — CID 135489575

IUPAC2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/CC2CC2)=C(O)c2ccccc21
InChIInChI=1S/C14H13NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)8-15-7-9-5-6-9/h1-4,8-9,16H,5-7H2/b15-8+
InChIKeyWICWVZXVQOYRRN-OVCLIPMQSA-N
MW227.26 g/mol
LogP2.63
Rot. Bonds3

About 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one

2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one (PubChem CID 135489575) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one
PubChem CID135489575
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/CC2CC2)=C(O)c2ccccc21
InChIInChI=1S/C14H13NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)8-15-7-9-5-6-9/h1-4,8-9,16H,5-7H2/b15-8+
InChIKeyWICWVZXVQOYRRN-OVCLIPMQSA-N
XLogP2.63
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one?
The IUPAC name of 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one (CID 135489575) is 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one.
What is the SMILES notation for 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one?
The canonical SMILES for 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one is O=C1C(/C=N/CC2CC2)=C(O)c2ccccc21.
What is the InChIKey of 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one?
The InChIKey is WICWVZXVQOYRRN-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)8-15-7-9-5-6-9/h1-4,8-9,16H,5-7H2/b15-8+.
What are the key properties of 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one?
2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one has a molecular weight of 227.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyliminomethyl)-3-hydroxyinden-1-one is sourced from PubChem (CID 135489575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).