1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione

C17H20N2O2 — CID 79907372

IUPAC1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
SMILESO=C1NC2(CCCC2)C(=O)N(CC2CC2)c2ccccc21
InChIInChI=1S/C17H20N2O2/c20-15-13-5-1-2-6-14(13)19(11-12-7-8-12)16(21)17(18-15)9-3-4-10-17/h1-2,5-6,12H,3-4,7-11H2,(H,18,20)
InChIKeyMHGWJPJHHBIJNE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.49
Rot. Bonds2

About 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione

1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione (PubChem CID 79907372) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
PubChem CID79907372
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
SMILESO=C1NC2(CCCC2)C(=O)N(CC2CC2)c2ccccc21
InChIInChI=1S/C17H20N2O2/c20-15-13-5-1-2-6-14(13)19(11-12-7-8-12)16(21)17(18-15)9-3-4-10-17/h1-2,5-6,12H,3-4,7-11H2,(H,18,20)
InChIKeyMHGWJPJHHBIJNE-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione?
The IUPAC name of 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione (CID 79907372) is 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione?
The canonical SMILES for 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione is O=C1NC2(CCCC2)C(=O)N(CC2CC2)c2ccccc21.
What is the InChIKey of 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione?
The InChIKey is MHGWJPJHHBIJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-15-13-5-1-2-6-14(13)19(11-12-7-8-12)16(21)17(18-15)9-3-4-10-17/h1-2,5-6,12H,3-4,7-11H2,(H,18,20).
What are the key properties of 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione?
1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione has a molecular weight of 284.36 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione is sourced from PubChem (CID 79907372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).