3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one

C7H7N3O — CID 134569542

IUPAC3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one
SMILESO=c1[nH]c2c([nH]1)NC=CC=C2
InChIInChI=1S/C7H7N3O/c11-7-9-5-3-1-2-4-8-6(5)10-7/h1-4,8H,(H2,9,10,11)
InChIKeyGVRWAWHNNLTTEI-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.66
Rot. Bonds

About 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one

3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one (PubChem CID 134569542) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one.

Molecular Properties

Compound Name3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one
PubChem CID134569542
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one
SMILESO=c1[nH]c2c([nH]1)NC=CC=C2
InChIInChI=1S/C7H7N3O/c11-7-9-5-3-1-2-4-8-6(5)10-7/h1-4,8H,(H2,9,10,11)
InChIKeyGVRWAWHNNLTTEI-UHFFFAOYSA-N
XLogP0.66
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,5-Tetrahydroimidazo[4,5-b]pyridin-2-one
CID 3070182
4-Ethenyl-1,3-dihydroimidazol-2-one
CID 19708523
1,2-Dihydropyridin-4-ylurea
CID 20144166
[(3Z,5Z)-6-aminohexa-1,3,5-trien-2-yl]urea
CID 89319523
[(3E,5Z)-6-aminohexa-1,3,5-trien-3-yl]urea
CID 89319881
1,2,3,4-Tetrahydroimidazo[4,5-b]azepine
CID 144849067
4-Methyl-1,3-dihydro-1,3-diazepin-2-one
CID 10749174
4-[(E)-3-aminoprop-1-enyl]-1,3-dihydroimidazol-2-one
CID 55283910
6-amino-2H-imidazo[1,5-a]pyridin-3-one
CID 82647185

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one?
The IUPAC name of 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one (CID 134569542) is 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one.
What is the SMILES notation for 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one?
The canonical SMILES for 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one is O=c1[nH]c2c([nH]1)NC=CC=C2.
What is the InChIKey of 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one?
The InChIKey is GVRWAWHNNLTTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-9-5-3-1-2-4-8-6(5)10-7/h1-4,8H,(H2,9,10,11).
What are the key properties of 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one?
3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one has a molecular weight of 149.15 g/mol, XLogP of 0.66, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-imidazo[4,5-b]azepin-2-one is sourced from PubChem (CID 134569542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).