N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

C16H16N2O3 — CID 3096102

IUPACN-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)C1C2CCCCC21
InChIInChI=1S/C16H16N2O3/c19-14(13-9-5-1-2-6-10(9)13)17-18-15(20)11-7-3-4-8-12(11)16(18)21/h3-4,7-10,13H,1-2,5-6H2,(H,17,19)
InChIKeyKKMRIUHFSQSHDS-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.75
Rot. Bonds2

About N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 3096102) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID3096102
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)C1C2CCCCC21
InChIInChI=1S/C16H16N2O3/c19-14(13-9-5-1-2-6-10(9)13)17-18-15(20)11-7-3-4-8-12(11)16(18)21/h3-4,7-10,13H,1-2,5-6H2,(H,17,19)
InChIKeyKKMRIUHFSQSHDS-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tecovirimat
CID 16124688
N-Aminophthalimide
CID 74645
Tecovirimat (ST-246)
CID 25101755
Benzeneacetamide, N-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
CID 809038
N-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)-2-phenylacetamide
CID 2885026
Phthalimidophthalimide
CID 96315
N-(1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzamide
CID 570392
N-(1,3-dioxooctahydro-2H-isoindol-2-yl)-4-isopropylbenzamide
CID 4677342
N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexanecarboxamide
CID 833166
N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide
CID 11463022
N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodecan-4-yl]-4-(trifluoromethyl)benzamide
CID 44420748
Tecovirimat monohydrate
CID 90479083

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (CID 3096102) is N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(NN1C(=O)c2ccccc2C1=O)C1C2CCCCC21.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is KKMRIUHFSQSHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14(13-9-5-1-2-6-10(9)13)17-18-15(20)11-7-3-4-8-12(11)16(18)21/h3-4,7-10,13H,1-2,5-6H2,(H,17,19).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 3096102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).