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

C17H19NO2 — CID 135441997

IUPAC2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one
SMILESC/C(=N\C1CCCCC1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H19NO2/c1-11(18-12-7-3-2-4-8-12)15-16(19)13-9-5-6-10-14(13)17(15)20/h5-6,9-10,12,19H,2-4,7-8H2,1H3/b18-11+
InChIKeyBUHPYKNWOVNUMS-WOJGMQOQSA-N
MW269.34 g/mol
LogP3.95
Rot. Bonds2

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

2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one (PubChem CID 135441997) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one
PubChem CID135441997
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one
SMILESC/C(=N\C1CCCCC1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H19NO2/c1-11(18-12-7-3-2-4-8-12)15-16(19)13-9-5-6-10-14(13)17(15)20/h5-6,9-10,12,19H,2-4,7-8H2,1H3/b18-11+
InChIKeyBUHPYKNWOVNUMS-WOJGMQOQSA-N
XLogP3.95
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.95
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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Related Compounds

1H-Indene-1,3(2H)-dione, 2-(((2-methylpropyl)amino)methylene)-
CID 135442004
2-[(methylamino)methylene]-1H-indene-1,3(2H)-dione
CID 135416860
2-(1-{[3-(diethylamino)propyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411339
(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)((2-hydroxyethyl)amino)acetonitrile
CID 135403621
1H-Indene-1,3(2H)-dione, 2-((ethylamino)methylene)-
CID 135416861
1H-Indene-1,3(2H)-dione, 2-(((1-methylethyl)amino)methylene)-
CID 135416870
1H-Indene-1,3(2H)-dione, 2-(((cyclopropylmethyl)amino)methylene)-
CID 135489575
2-[1-(2,2-dimethylhydrazino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135401411
2-[(Cyclopropylamino)methylidene]-1h-indene-1,3(2h)-dione
CID 135410705
2-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411296
2-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411338
2-(1-Cyclopropylamino-ethylidene)-indan-1,3-dione
CID 135421775

Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one?
The IUPAC name of 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one (CID 135441997) is 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one.
What is the SMILES notation for 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one?
The canonical SMILES for 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one is C/C(=N\C1CCCCC1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one?
The InChIKey is BUHPYKNWOVNUMS-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11(18-12-7-3-2-4-8-12)15-16(19)13-9-5-6-10-14(13)17(15)20/h5-6,9-10,12,19H,2-4,7-8H2,1H3/b18-11+.
What are the key properties of 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one?
2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclohexyl-C-methylcarbonimidoyl)-3-hydroxyinden-1-one is sourced from PubChem (CID 135441997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).