N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide

C14H15NO4 — CID 25180451

IUPACN-(1,3-dioxo-4H-isochromen-7-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)C(=O)OC(=O)C2
InChIInChI=1S/C14H15NO4/c1-2-3-4-12(16)15-10-6-5-9-7-13(17)19-14(18)11(9)8-10/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyIOAAJEMQSLUSSO-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.05
Rot. Bonds4

About N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide

N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide (PubChem CID 25180451) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide.

Molecular Properties

Compound NameN-(1,3-dioxo-4H-isochromen-7-yl)pentanamide
PubChem CID25180451
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC NameN-(1,3-dioxo-4H-isochromen-7-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)C(=O)OC(=O)C2
InChIInChI=1S/C14H15NO4/c1-2-3-4-12(16)15-10-6-5-9-7-13(17)19-14(18)11(9)8-10/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyIOAAJEMQSLUSSO-UHFFFAOYSA-N
XLogP2.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide
CID 171981229
N-(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)hexanamide
CID 177336949
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
2-[5-(hexanoylamino)-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid
CID 67065500
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
2-[5-(octanoylamino)-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid
CID 76703673
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide
CID 23883624
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
N-(4-chloro-3-sulfanylphenyl)pentanamide
CID 4713020

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide?
The IUPAC name of N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide (CID 25180451) is N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide.
What is the SMILES notation for N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide?
The canonical SMILES for N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide is CCCCC(=O)Nc1ccc2c(c1)C(=O)OC(=O)C2.
What is the InChIKey of N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide?
The InChIKey is IOAAJEMQSLUSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-3-4-12(16)15-10-6-5-9-7-13(17)19-14(18)11(9)8-10/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide?
N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide has a molecular weight of 261.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-4H-isochromen-7-yl)pentanamide is sourced from PubChem (CID 25180451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).