methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate

C10H20N2O — CID 172929554

IUPACmethyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate
SMILESCO/C(CC(C)C)=N\N=C\C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)6-10(13-5)12-11-7-9(3)4/h7-9H,6H2,1-5H3/b11-7+,12-10-
InChIKeyUZHUJQDTJHRJIQ-LBNSGORRSA-N
MW184.28 g/mol
LogP2.72
Rot. Bonds4

About methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate

methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate (PubChem CID 172929554) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate.

Molecular Properties

Compound Namemethyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate
PubChem CID172929554
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Namemethyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate
SMILESCO/C(CC(C)C)=N\N=C\C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)6-10(13-5)12-11-7-9(3)4/h7-9H,6H2,1-5H3/b11-7+,12-10-
InChIKeyUZHUJQDTJHRJIQ-LBNSGORRSA-N
XLogP2.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate?
The IUPAC name of methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate (CID 172929554) is methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate.
What is the SMILES notation for methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate?
The canonical SMILES for methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate is CO/C(CC(C)C)=N\N=C\C(C)C.
What is the InChIKey of methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate?
The InChIKey is UZHUJQDTJHRJIQ-LBNSGORRSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)6-10(13-5)12-11-7-9(3)4/h7-9H,6H2,1-5H3/b11-7+,12-10-.
What are the key properties of methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate?
methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate has a molecular weight of 184.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate is sourced from PubChem (CID 172929554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).