2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione

C19H15NO3 — CID 102159608

IUPAC2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione
SMILESC[C@H](O)CN1C(=O)c2cc3cc4ccccc4cc3cc2C1=O
InChIInChI=1S/C19H15NO3/c1-11(21)10-20-18(22)16-8-14-6-12-4-2-3-5-13(12)7-15(14)9-17(16)19(20)23/h2-9,11,21H,10H2,1H3/t11-/m0/s1
InChIKeyZZKXZFNDUIEAEQ-NSHDSACASA-N
MW305.33 g/mol
LogP2.97
Rot. Bonds2

About 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione

2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione (PubChem CID 102159608) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione
PubChem CID102159608
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione
SMILESC[C@H](O)CN1C(=O)c2cc3cc4ccccc4cc3cc2C1=O
InChIInChI=1S/C19H15NO3/c1-11(21)10-20-18(22)16-8-14-6-12-4-2-3-5-13(12)7-15(14)9-17(16)19(20)23/h2-9,11,21H,10H2,1H3/t11-/m0/s1
InChIKeyZZKXZFNDUIEAEQ-NSHDSACASA-N
XLogP2.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
2-(2-hydroxy-2-isoquinolin-3-ylethyl)isoindole-1,3-dione
CID 118917491
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide
CID 113083442
5-[hydroxy(oxido)amino]-2-(2-hydroxypropyl)benzo[de]isoquinoline-1,3-dione
CID 21140514
2-[2-(oxiran-2-yl)butyl]benzo[f]isoindole-1,3-dione
CID 122459580
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-[2-(oxiran-2-yl)-2-phenylethyl]benzo[f]isoindole-1,3-dione
CID 122459559
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-[(2S,3S)-2-hydroxy-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 139039322
2-(3-hydroxybutyl)benzo[de]isoquinoline-1,3-dione
CID 53348109
[(2R)-2-(1,3-dioxonaphtho[2,3-f]isoindol-2-yl)propyl] trifluoromethanesulfonate
CID 102009371

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione (CID 102159608) is 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione is C[C@H](O)CN1C(=O)c2cc3cc4ccccc4cc3cc2C1=O.
What is the InChIKey of 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione?
The InChIKey is ZZKXZFNDUIEAEQ-NSHDSACASA-N. The full InChI is InChI=1S/C19H15NO3/c1-11(21)10-20-18(22)16-8-14-6-12-4-2-3-5-13(12)7-15(14)9-17(16)19(20)23/h2-9,11,21H,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione?
2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione has a molecular weight of 305.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione is sourced from PubChem (CID 102159608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).