2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione

C17H14N2O3 — CID 9391238

IUPAC2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\N2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C17H14N2O3/c1-10-8-14(10)15-7-6-11(22-15)9-18-19-16(20)12-4-2-3-5-13(12)17(19)21/h2-7,9-10,14H,8H2,1H3/b18-9-/t10-,14-/m1/s1
InChIKeyBTMIMWWCVGYHLM-UCBXJQBOSA-N
MW294.31 g/mol
LogP3.03
Rot. Bonds3

About 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione

2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione (PubChem CID 9391238) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione
PubChem CID9391238
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\N2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C17H14N2O3/c1-10-8-14(10)15-7-6-11(22-15)9-18-19-16(20)12-4-2-3-5-13(12)17(19)21/h2-7,9-10,14H,8H2,1H3/b18-9-/t10-,14-/m1/s1
InChIKeyBTMIMWWCVGYHLM-UCBXJQBOSA-N
XLogP3.03
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

2-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 9392750
3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9395752
(3Z)-1-methyl-3-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one
CID 9247342
(3Z)-1-methyl-3-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]indol-2-one
CID 9247340
N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]hydroxylamine
CID 129431237
N-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]hydroxylamine
CID 71831994
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
4-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 9396337
6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one
CID 9397818
2-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 8979938
2-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
CID 5437075

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione (CID 9391238) is 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione is C[C@@H]1C[C@H]1c1ccc(/C=N\N2C(=O)c3ccccc3C2=O)o1.
What is the InChIKey of 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione?
The InChIKey is BTMIMWWCVGYHLM-UCBXJQBOSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-8-14(10)15-7-6-11(22-15)9-18-19-16(20)12-4-2-3-5-13(12)17(19)21/h2-7,9-10,14H,8H2,1H3/b18-9-/t10-,14-/m1/s1.
What are the key properties of 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione?
2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione has a molecular weight of 294.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 9391238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).