tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate

C19H24N2O3 — CID 86695308

IUPACtert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate
SMILESCN1Cc2c(C3CC=CC3)ccc(NC(=O)OC(C)(C)C)c2C1=O
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(23)20-15-10-9-13(12-7-5-6-8-12)14-11-21(4)17(22)16(14)15/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,20,23)
InChIKeyGKQNEGHEQKCAJY-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate

tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate (PubChem CID 86695308) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate
PubChem CID86695308
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate
SMILESCN1Cc2c(C3CC=CC3)ccc(NC(=O)OC(C)(C)C)c2C1=O
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(23)20-15-10-9-13(12-7-5-6-8-12)14-11-21(4)17(22)16(14)15/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,20,23)
InChIKeyGKQNEGHEQKCAJY-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-4-[2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-3H-isoindol-4-yl]cyclohexane-1-carboxylic acid
CID 67256034
tert-butyl N-(3-methylcyclohexa-1,5-dien-1-yl)carbamate
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tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
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tert-butyl N-(4-cyclopropyl-2-phenacylphenyl)carbamate
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benzyl N-[(8bR)-3-benzyl-5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4,8b-dihydro-1H-cyclopropa[d][2]benzazepin-1a-yl]carbamate
CID 143228195
tert-butyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 130441784
methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 11988742
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(4-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
CID 117274563
tert-butyl N-(1,2-dimethylindol-7-yl)carbamate
CID 174933976
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate (CID 86695308) is tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate is CN1Cc2c(C3CC=CC3)ccc(NC(=O)OC(C)(C)C)c2C1=O.
What is the InChIKey of tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate?
The InChIKey is GKQNEGHEQKCAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)24-18(23)20-15-10-9-13(12-7-5-6-8-12)14-11-21(4)17(22)16(14)15/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate?
tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate has a molecular weight of 328.41 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-cyclopent-3-en-1-yl-2-methyl-3-oxo-1H-isoindol-4-yl)carbamate is sourced from PubChem (CID 86695308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).