2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one

C14H13NO2 — CID 135421775

IUPAC2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one
SMILESC/C(=N\C1CC1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C14H13NO2/c1-8(15-9-6-7-9)12-13(16)10-4-2-3-5-11(10)14(12)17/h2-5,9,16H,6-7H2,1H3/b15-8+
InChIKeySCQVYKLRVXSLTR-OVCLIPMQSA-N
MW227.26 g/mol
LogP2.78
Rot. Bonds2

About 2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one

2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one (PubChem CID 135421775) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one
PubChem CID135421775
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one
SMILESC/C(=N\C1CC1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C14H13NO2/c1-8(15-9-6-7-9)12-13(16)10-4-2-3-5-11(10)14(12)17/h2-5,9,16H,6-7H2,1H3/b15-8+
InChIKeySCQVYKLRVXSLTR-OVCLIPMQSA-N
XLogP2.78
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.78
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-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one?
The IUPAC name of 2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one (CID 135421775) is 2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one.
What is the SMILES notation for 2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one?
The canonical SMILES for 2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one is C/C(=N\C1CC1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one?
The InChIKey is SCQVYKLRVXSLTR-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13NO2/c1-8(15-9-6-7-9)12-13(16)10-4-2-3-5-11(10)14(12)17/h2-5,9,16H,6-7H2,1H3/b15-8+.
What are the key properties of 2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one?
2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one has a molecular weight of 227.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclopropyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one is sourced from PubChem (CID 135421775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).