1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone

C7H12N2O — CID 154815490

IUPAC1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone
SMILESCC(=O)N1CC=CNCC1
InChIInChI=1S/C7H12N2O/c1-7(10)9-5-2-3-8-4-6-9/h2-3,8H,4-6H2,1H3
InChIKeyLLBCUZJANHSKDZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.05
Rot. Bonds

About 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone

1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone (PubChem CID 154815490) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone
PubChem CID154815490
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone
SMILESCC(=O)N1CC=CNCC1
InChIInChI=1S/C7H12N2O/c1-7(10)9-5-2-3-8-4-6-9/h2-3,8H,4-6H2,1H3
InChIKeyLLBCUZJANHSKDZ-UHFFFAOYSA-N
XLogP-0.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2,3,4-Tetrahydro-5h-1,4-diazepin-5-one
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Tetrahydro-2h-1,4-diazepin-2-one
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2-(dimethylamino)-N-prop-2-enylacetamide
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4-methyl-2,3-dihydro-1H-1,4-diazepin-5-one
CID 10749190
Dimethyl-[2-(prop-2-enoylamino)ethyl]azanium
CID 18325508
N-Methyl-N-(2-methylamino-ethyl)-acrylamide
CID 20268115
N-[2-(2,6-dihydro-1H-pyrimidin-3-yl)ethyl]acetamide
CID 21315965
2-(methylamino)-N-prop-2-enylacetamide
CID 24706620
N-ethyl-2-(prop-2-enylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone?
The IUPAC name of 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone (CID 154815490) is 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone?
The canonical SMILES for 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone is CC(=O)N1CC=CNCC1.
What is the InChIKey of 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone?
The InChIKey is LLBCUZJANHSKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(10)9-5-2-3-8-4-6-9/h2-3,8H,4-6H2,1H3.
What are the key properties of 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone?
1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone has a molecular weight of 140.19 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5-tetrahydro-1,4-diazepin-4-yl)ethanone is sourced from PubChem (CID 154815490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).