5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione

C19H17N3O3 — CID 171346175

IUPAC5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione
SMILESCc1ccc2c(c1)C1(Nc3ccccc3NC3COC(=O)C31)C(=O)N2
InChIInChI=1S/C19H17N3O3/c1-10-6-7-12-11(8-10)19(18(24)21-12)16-15(9-25-17(16)23)20-13-4-2-3-5-14(13)22-19/h2-8,15-16,20,22H,9H2,1H3,(H,21,24)
InChIKeyAMWNKTJHUJXXIV-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.22
Rot. Bonds

About 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione

5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione (PubChem CID 171346175) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione.

Molecular Properties

Compound Name5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione
PubChem CID171346175
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione
SMILESCc1ccc2c(c1)C1(Nc3ccccc3NC3COC(=O)C31)C(=O)N2
InChIInChI=1S/C19H17N3O3/c1-10-6-7-12-11(8-10)19(18(24)21-12)16-15(9-25-17(16)23)20-13-4-2-3-5-14(13)22-19/h2-8,15-16,20,22H,9H2,1H3,(H,21,24)
InChIKeyAMWNKTJHUJXXIV-UHFFFAOYSA-N
XLogP2.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione?
The IUPAC name of 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione (CID 171346175) is 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione.
What is the SMILES notation for 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione?
The canonical SMILES for 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione is Cc1ccc2c(c1)C1(Nc3ccccc3NC3COC(=O)C31)C(=O)N2.
What is the InChIKey of 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione?
The InChIKey is AMWNKTJHUJXXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-10-6-7-12-11(8-10)19(18(24)21-12)16-15(9-25-17(16)23)20-13-4-2-3-5-14(13)22-19/h2-8,15-16,20,22H,9H2,1H3,(H,21,24).
What are the key properties of 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione?
5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione has a molecular weight of 335.36 g/mol, XLogP of 2.22, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[1H-indole-3,4'-3a,5,10,10a-tetrahydro-1H-furo[3,4-c][1,5]benzodiazepine]-2,3'-dione is sourced from PubChem (CID 171346175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).