2-methylidenehexanoylazanide;terbium

C7H12NOTb- — CID 175783049

IUPAC2-methylidenehexanoylazanide;terbium
SMILESC=C(CCCC)C([NH-])=O.[Tb]
InChIInChI=1S/C7H13NO.Tb/c1-3-4-5-6(2)7(8)9;/h2-5H2,1H3,(H2,8,9);/p-1
InChIKeyPZONLBOWTMQLNG-UHFFFAOYSA-M
MW285.10 g/mol
LogP2.31
Rot. Bonds4

About 2-methylidenehexanoylazanide;terbium

2-methylidenehexanoylazanide;terbium (PubChem CID 175783049) has the molecular formula C7H12NOTb- and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-methylidenehexanoylazanide;terbium.

Molecular Properties

Compound Name2-methylidenehexanoylazanide;terbium
PubChem CID175783049
Molecular FormulaC7H12NOTb-
Molecular Weight285.10 g/mol
Exact Mass285.02
IUPAC Name2-methylidenehexanoylazanide;terbium
SMILESC=C(CCCC)C([NH-])=O.[Tb]
InChIInChI=1S/C7H13NO.Tb/c1-3-4-5-6(2)7(8)9;/h2-5H2,1H3,(H2,8,9);/p-1
InChIKeyPZONLBOWTMQLNG-UHFFFAOYSA-M
XLogP2.31
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidenehexanoic acid;zinc
CID 174824467
ethane;2-methylidenehexanoic acid
CID 162072915
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
3,4-dimethylideneoctan-2-one
CID 143941758
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844
3-methylideneoctan-4-one
CID 11815902
N-ethyl-2-methylidenehexanamide
CID 140513535
N-chloro-2-methylidenehexanamide
CID 91615542
2-methylidene-N-sulfonylhexanamide
CID 88843016
carboxy 2-methylidenehexanoate
CID 170167153
2-methyl-5-methylidenenonan-4-one
CID 71483400

Frequently Asked Questions

What is the IUPAC name of 2-methylidenehexanoylazanide;terbium?
The IUPAC name of 2-methylidenehexanoylazanide;terbium (CID 175783049) is 2-methylidenehexanoylazanide;terbium.
What is the SMILES notation for 2-methylidenehexanoylazanide;terbium?
The canonical SMILES for 2-methylidenehexanoylazanide;terbium is C=C(CCCC)C([NH-])=O.[Tb].
What is the InChIKey of 2-methylidenehexanoylazanide;terbium?
The InChIKey is PZONLBOWTMQLNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO.Tb/c1-3-4-5-6(2)7(8)9;/h2-5H2,1H3,(H2,8,9);/p-1.
What are the key properties of 2-methylidenehexanoylazanide;terbium?
2-methylidenehexanoylazanide;terbium has a molecular weight of 285.10 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenehexanoylazanide;terbium is sourced from PubChem (CID 175783049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).