4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one

C8H14N2O — CID 58345351

IUPAC4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one
SMILESCC(C)N1CC=CNCC1=O
InChIInChI=1S/C8H14N2O/c1-7(2)10-5-3-4-9-6-8(10)11/h3-4,7,9H,5-6H2,1-2H3
InChIKeyBSIILEDVBZWUBI-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.34
Rot. Bonds1

About 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one

4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one (PubChem CID 58345351) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one
PubChem CID58345351
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one
SMILESCC(C)N1CC=CNCC1=O
InChIInChI=1S/C8H14N2O/c1-7(2)10-5-3-4-9-6-8(10)11/h3-4,7,9H,5-6H2,1-2H3
InChIKeyBSIILEDVBZWUBI-UHFFFAOYSA-N
XLogP0.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro-2h-1,4-diazepin-2-one
CID 53959536
1-(1,2,3,5-Tetrahydro-1,4-diazepin-4-yl)ethanone
CID 154815490
2-(methylamino)-N,N-bis(prop-2-enyl)acetamide
CID 24694747
2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 113158100
4-methyl-3,5-dihydro-1H-1,4-diazepin-2-one
CID 54472601
4-propan-2-yl-2,3-dihydro-1H-1,4-diazepin-5-one
CID 58345339
4-Propan-2-yl-1,2-dihydropyrazin-3-one
CID 58345348
4-propan-2-yl-2,7-dihydro-1H-1,4-diazepin-3-one
CID 58345368
(Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide
CID 59881787
2-[methyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 59962239
4-methyl-2,5-dihydro-1H-1,4-diazepin-3-one
CID 68274324
4-methyl-2,7-dihydro-1H-1,4-diazepin-3-one
CID 68274327

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one?
The IUPAC name of 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one (CID 58345351) is 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one.
What is the SMILES notation for 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one?
The canonical SMILES for 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one is CC(C)N1CC=CNCC1=O.
What is the InChIKey of 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one?
The InChIKey is BSIILEDVBZWUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)10-5-3-4-9-6-8(10)11/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one?
4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one has a molecular weight of 154.21 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,5-dihydro-1H-1,4-diazepin-3-one is sourced from PubChem (CID 58345351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).