1,3-dihydro-1,4-diazepin-2-one;hydrobromide

C5H7BrN2O — CID 145236562

IUPAC1,3-dihydro-1,4-diazepin-2-one;hydrobromide
SMILESBr.O=C1CN=CC=CN1
InChIInChI=1S/C5H6N2O.BrH/c8-5-4-6-2-1-3-7-5;/h1-3H,4H2,(H,7,8);1H
InChIKeyUCVVCAQMDOEJRU-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.28
Rot. Bonds

About 1,3-dihydro-1,4-diazepin-2-one;hydrobromide

1,3-dihydro-1,4-diazepin-2-one;hydrobromide (PubChem CID 145236562) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 1,3-dihydro-1,4-diazepin-2-one;hydrobromide.

Molecular Properties

Compound Name1,3-dihydro-1,4-diazepin-2-one;hydrobromide
PubChem CID145236562
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name1,3-dihydro-1,4-diazepin-2-one;hydrobromide
SMILESBr.O=C1CN=CC=CN1
InChIInChI=1S/C5H6N2O.BrH/c8-5-4-6-2-1-3-7-5;/h1-3H,4H2,(H,7,8);1H
InChIKeyUCVVCAQMDOEJRU-UHFFFAOYSA-N
XLogP0.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5]Diazepin-6-one
CID 67060830
1,4-Diazepinedione
CID 129782430
2-(1,4-Diazepin-1-yl)acetamide
CID 18001140
2H-pyrimidinecarboxamide
CID 22318737
2H-pyrimidinecarboxamide chloride
CID 86742628
1,3-Dihydro-1,4-diazepin-2-one;hydrochloride
CID 118076544
1,3-Dihydro-1,4-diazepin-2-one;dihydrochloride
CID 142416002
N-methyl-1,2-dihydropyrimidine-2-carboxamide
CID 150983515
3-methylidene-1H-1,4-diazepin-2-one
CID 152481767
3-Methyl-1,3-dihydro-1,4-diazepin-2-one
CID 13553635

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-1,4-diazepin-2-one;hydrobromide?
The IUPAC name of 1,3-dihydro-1,4-diazepin-2-one;hydrobromide (CID 145236562) is 1,3-dihydro-1,4-diazepin-2-one;hydrobromide.
What is the SMILES notation for 1,3-dihydro-1,4-diazepin-2-one;hydrobromide?
The canonical SMILES for 1,3-dihydro-1,4-diazepin-2-one;hydrobromide is Br.O=C1CN=CC=CN1.
What is the InChIKey of 1,3-dihydro-1,4-diazepin-2-one;hydrobromide?
The InChIKey is UCVVCAQMDOEJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.BrH/c8-5-4-6-2-1-3-7-5;/h1-3H,4H2,(H,7,8);1H.
What are the key properties of 1,3-dihydro-1,4-diazepin-2-one;hydrobromide?
1,3-dihydro-1,4-diazepin-2-one;hydrobromide has a molecular weight of 191.03 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-1,4-diazepin-2-one;hydrobromide is sourced from PubChem (CID 145236562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).