4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one

C8H14N2O — CID 140824861

IUPAC4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one
SMILESCC(C)C(=O)CCC1(C)N=N1
InChIInChI=1S/C8H14N2O/c1-6(2)7(11)4-5-8(3)9-10-8/h6H,4-5H2,1-3H3
InChIKeyPYUIBDSMXJPKDK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.17
Rot. Bonds4

About 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one

4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one (PubChem CID 140824861) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one
PubChem CID140824861
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one
SMILESCC(C)C(=O)CCC1(C)N=N1
InChIInChI=1S/C8H14N2O/c1-6(2)7(11)4-5-8(3)9-10-8/h6H,4-5H2,1-3H3
InChIKeyPYUIBDSMXJPKDK-UHFFFAOYSA-N
XLogP2.17
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 121380500
CID 121380500
CID 123616935
CID 123616935
CID 168995672
CID 168995672
CID 169069204
CID 169069204

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one?
The IUPAC name of 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one (CID 140824861) is 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one?
The canonical SMILES for 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one is CC(C)C(=O)CCC1(C)N=N1.
What is the InChIKey of 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one?
The InChIKey is PYUIBDSMXJPKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)7(11)4-5-8(3)9-10-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one?
4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one has a molecular weight of 154.21 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methyldiazirin-3-yl)pentan-3-one is sourced from PubChem (CID 140824861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).