1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one

C8H15ClN2O — CID 130722720

IUPAC1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CCCCl)C1=O
InChIInChI=1S/C8H15ClN2O/c1-10-5-3-7-11(8(10)12)6-2-4-9/h2-7H2,1H3
InChIKeyMOECRMCJBARZCG-UHFFFAOYSA-N
MW190.67 g/mol
LogP1.37
Rot. Bonds3

About 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one

1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one (PubChem CID 130722720) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one
PubChem CID130722720
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(CCCCl)C1=O
InChIInChI=1S/C8H15ClN2O/c1-10-5-3-7-11(8(10)12)6-2-4-9/h2-7H2,1H3
InChIKeyMOECRMCJBARZCG-UHFFFAOYSA-N
XLogP1.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloropropyl)-3-ethylimidazolidin-2-one
CID 15078469
2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride
CID 23566514
1-(2-aminopropyl)-3-methyl-1,3-diazinan-2-one
CID 83816294
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-(3-aminopropyl)-3-methylimidazolidin-2-one
CID 59225431
1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one
CID 83817589
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
1-methyl-3-(5-oxohexyl)imidazolidin-2-one
CID 62491497
1-methyl-3-(5-methylhexyl)imidazolidin-2-one
CID 167272324
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
3-(3-chloropropyl)-1-methylimidazolidine-2,4-dione
CID 28824124
1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 171846505

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one (CID 130722720) is 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one is CN1CCCN(CCCCl)C1=O.
What is the InChIKey of 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one?
The InChIKey is MOECRMCJBARZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-10-5-3-7-11(8(10)12)6-2-4-9/h2-7H2,1H3.
What are the key properties of 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one?
1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one has a molecular weight of 190.67 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 130722720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).