3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione

C19H19N3O2 — CID 10639498

IUPAC3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccccc23)=C1N=C1CCCCCC1
InChIInChI=1S/C19H19N3O2/c23-18-16(14-11-20-15-10-6-5-9-13(14)15)17(19(24)22-18)21-12-7-3-1-2-4-8-12/h5-6,9-11,20H,1-4,7-8H2,(H,22,23,24)
InChIKeyUSAMCQFYHPOZJT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.33
Rot. Bonds2

About 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 10639498) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID10639498
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccccc23)=C1N=C1CCCCCC1
InChIInChI=1S/C19H19N3O2/c23-18-16(14-11-20-15-10-6-5-9-13(14)15)17(19(24)22-18)21-12-7-3-1-2-4-8-12/h5-6,9-11,20H,1-4,7-8H2,(H,22,23,24)
InChIKeyUSAMCQFYHPOZJT-UHFFFAOYSA-N
XLogP3.33
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 10547472
3-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;N-methylmethanamine
CID 142139866
3-(1H-indol-3-yl)-4-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyrrole-2,5-dione
CID 150684800
3-(1,4-benzodioxin-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 134998083
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 141313740
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-[6-fluoro-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410486
3-(1H-indol-3-yl)-4-(6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrrole-2,5-dione
CID 22556672
3-[2-(2-aminoethylamino)ethylamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22728646

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 10639498) is 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1N=C1CCCCCC1.
What is the InChIKey of 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is USAMCQFYHPOZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-16(14-11-20-15-10-6-5-9-13(14)15)17(19(24)22-18)21-12-7-3-1-2-4-8-12/h5-6,9-11,20H,1-4,7-8H2,(H,22,23,24).
What are the key properties of 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 321.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylideneamino)-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10639498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).