1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one

C12H18N4O — CID 62471933

IUPAC1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one
SMILESNNc1cc(CN2CCCCCC2=O)ccn1
InChIInChI=1S/C12H18N4O/c13-15-11-8-10(5-6-14-11)9-16-7-3-1-2-4-12(16)17/h5-6,8H,1-4,7,9,13H2,(H,14,15)
InChIKeyGONKIDXMQCXUJD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.27
Rot. Bonds3

About 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one

1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one (PubChem CID 62471933) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one
PubChem CID62471933
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one
SMILESNNc1cc(CN2CCCCCC2=O)ccn1
InChIInChI=1S/C12H18N4O/c13-15-11-8-10(5-6-14-11)9-16-7-3-1-2-4-12(16)17/h5-6,8H,1-4,7,9,13H2,(H,14,15)
InChIKeyGONKIDXMQCXUJD-UHFFFAOYSA-N
XLogP1.27
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-4-pyridinyl)methyl]azocan-2-one
CID 62471320
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-propylpiperazine-2,5-dione
CID 79941401
4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one
CID 102892713
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
[4-(thiomorpholin-4-ylmethyl)-2-pyridinyl]hydrazine
CID 62472279
1-[[3-(aminomethyl)-4-fluorophenyl]methyl]azepan-2-one
CID 114012007
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 63008284
1-[(3-amino-5-bromophenyl)methyl]azocan-2-one
CID 103350061
5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide
CID 55214250
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one?
The IUPAC name of 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one (CID 62471933) is 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one is NNc1cc(CN2CCCCCC2=O)ccn1.
What is the InChIKey of 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one?
The InChIKey is GONKIDXMQCXUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-15-11-8-10(5-6-14-11)9-16-7-3-1-2-4-12(16)17/h5-6,8H,1-4,7,9,13H2,(H,14,15).
What are the key properties of 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one?
1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-4-pyridinyl)methyl]azepan-2-one is sourced from PubChem (CID 62471933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).