N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide

C17H19NO3 — CID 135463747

IUPACN-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide
SMILESCCCCCCC(=O)/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H19NO3/c1-2-3-4-5-10-15(19)18-11-14-16(20)12-8-6-7-9-13(12)17(14)21/h6-9,11,20H,2-5,10H2,1H3/b18-11+
InChIKeySOXAAGSDLQFTFP-WOJGMQOQSA-N
MW285.34 g/mol
LogP3.72
Rot. Bonds6

About N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide

N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide (PubChem CID 135463747) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide
PubChem CID135463747
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide
SMILESCCCCCCC(=O)/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H19NO3/c1-2-3-4-5-10-15(19)18-11-14-16(20)12-8-6-7-9-13(12)17(14)21/h6-9,11,20H,2-5,10H2,1H3/b18-11+
InChIKeySOXAAGSDLQFTFP-WOJGMQOQSA-N
XLogP3.72
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.72
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': 'Aliphatic_long_chain', '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
2-[1-(cyclohexylamino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135441997
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-[(cyclopropylamino)methylene]-1H-indene-1,3(2H)-dione
CID 135410705
2-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-1H-indene-1,3(2H)-dione
CID 135411296
2-{[3-(2-Oxo-pyrrolidin-1-yl)-propylamino]-methylene}-indan-1,3-dione
CID 135417047
2-[1-(cyclopropylamino)ethylidene]-1H-indene-1,3(2H)-dione
CID 135421775
2-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}-1H-indene-1,3(2H)-dione
CID 135423538

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide?
The IUPAC name of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide (CID 135463747) is N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide.
What is the SMILES notation for N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide?
The canonical SMILES for N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide is CCCCCCC(=O)/N=C/C1=C(O)c2ccccc2C1=O.
What is the InChIKey of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide?
The InChIKey is SOXAAGSDLQFTFP-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-3-4-5-10-15(19)18-11-14-16(20)12-8-6-7-9-13(12)17(14)21/h6-9,11,20H,2-5,10H2,1H3/b18-11+.
What are the key properties of N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide?
N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide has a molecular weight of 285.34 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-oxoinden-2-yl)methylidene]heptanamide is sourced from PubChem (CID 135463747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).