5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C12H15N3O2 — CID 84627467

IUPAC5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCc1cccc2c1N(C(=O)CN)CCC(=O)N2
InChIInChI=1S/C12H15N3O2/c1-8-3-2-4-9-12(8)15(11(17)7-13)6-5-10(16)14-9/h2-4H,5-7,13H2,1H3,(H,14,16)
InChIKeyNVVBBXUNIHMVPY-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.63
Rot. Bonds1

About 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 84627467) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID84627467
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCc1cccc2c1N(C(=O)CN)CCC(=O)N2
InChIInChI=1S/C12H15N3O2/c1-8-3-2-4-9-12(8)15(11(17)7-13)6-5-10(16)14-9/h2-4H,5-7,13H2,1H3,(H,14,16)
InChIKeyNVVBBXUNIHMVPY-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 84627467) is 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is Cc1cccc2c1N(C(=O)CN)CCC(=O)N2.
What is the InChIKey of 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is NVVBBXUNIHMVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-3-2-4-9-12(8)15(11(17)7-13)6-5-10(16)14-9/h2-4H,5-7,13H2,1H3,(H,14,16).
What are the key properties of 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 84627467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).