2-(1,4-diazepin-1-yl)acetamide

C7H9N3O — CID 18001140

IUPAC2-(1,4-diazepin-1-yl)acetamide
SMILESNC(=O)CN1C=CC=NC=C1
InChIInChI=1S/C7H9N3O/c8-7(11)6-10-4-1-2-9-3-5-10/h1-5H,6H2,(H2,8,11)
InChIKeyNSPBDSJPYAJIMP-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.16
Rot. Bonds2

About 2-(1,4-diazepin-1-yl)acetamide

2-(1,4-diazepin-1-yl)acetamide (PubChem CID 18001140) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(1,4-diazepin-1-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepin-1-yl)acetamide
PubChem CID18001140
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-(1,4-diazepin-1-yl)acetamide
SMILESNC(=O)CN1C=CC=NC=C1
InChIInChI=1S/C7H9N3O/c8-7(11)6-10-4-1-2-9-3-5-10/h1-5H,6H2,(H2,8,11)
InChIKeyNSPBDSJPYAJIMP-UHFFFAOYSA-N
XLogP-0.16
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepin-1-yl)acetamide?
The IUPAC name of 2-(1,4-diazepin-1-yl)acetamide (CID 18001140) is 2-(1,4-diazepin-1-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepin-1-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepin-1-yl)acetamide is NC(=O)CN1C=CC=NC=C1.
What is the InChIKey of 2-(1,4-diazepin-1-yl)acetamide?
The InChIKey is NSPBDSJPYAJIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7(11)6-10-4-1-2-9-3-5-10/h1-5H,6H2,(H2,8,11).
What are the key properties of 2-(1,4-diazepin-1-yl)acetamide?
2-(1,4-diazepin-1-yl)acetamide has a molecular weight of 151.17 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepin-1-yl)acetamide is sourced from PubChem (CID 18001140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).