cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone

C17H23N3O2 — CID 97391251

IUPACcyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
SMILESCOCCN1CCN(C(=O)C2CC=CC2)Cc2cccnc21
InChIInChI=1S/C17H23N3O2/c1-22-12-11-19-9-10-20(17(21)14-5-2-3-6-14)13-15-7-4-8-18-16(15)19/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyAXRXSTSUAUTGCX-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.84
Rot. Bonds4

About cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone

cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone (PubChem CID 97391251) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
PubChem CID97391251
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Namecyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
SMILESCOCCN1CCN(C(=O)C2CC=CC2)Cc2cccnc21
InChIInChI=1S/C17H23N3O2/c1-22-12-11-19-9-10-20(17(21)14-5-2-3-6-14)13-15-7-4-8-18-16(15)19/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyAXRXSTSUAUTGCX-UHFFFAOYSA-N
XLogP1.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone (CID 97391251) is cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone is COCCN1CCN(C(=O)C2CC=CC2)Cc2cccnc21.
What is the InChIKey of cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The InChIKey is AXRXSTSUAUTGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-22-12-11-19-9-10-20(17(21)14-5-2-3-6-14)13-15-7-4-8-18-16(15)19/h2-4,7-8,14H,5-6,9-13H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone is sourced from PubChem (CID 97391251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).