lithium;hydride;2-methylidenebutanoic acid

C5H9LiO2 — CID 174729708

IUPAClithium;hydride;2-methylidenebutanoic acid
SMILESC=C(CC)C(=O)O.[H-].[Li+]
InChIInChI=1S/C5H8O2.Li.H/c1-3-4(2)5(6)7;;/h2-3H2,1H3,(H,6,7);;/q;+1;-1
InChIKeyGSLZDRPKSYGMDV-UHFFFAOYSA-N
MW108.07 g/mol
LogP-1.85
Rot. Bonds2

About lithium;hydride;2-methylidenebutanoic acid

lithium;hydride;2-methylidenebutanoic acid (PubChem CID 174729708) has the molecular formula C5H9LiO2 and a molecular weight of 108.07 g/mol. Its IUPAC name is lithium;hydride;2-methylidenebutanoic acid.

Molecular Properties

Compound Namelithium;hydride;2-methylidenebutanoic acid
PubChem CID174729708
Molecular FormulaC5H9LiO2
Molecular Weight108.07 g/mol
Exact Mass108.08
IUPAC Namelithium;hydride;2-methylidenebutanoic acid
SMILESC=C(CC)C(=O)O.[H-].[Li+]
InChIInChI=1S/C5H8O2.Li.H/c1-3-4(2)5(6)7;;/h2-3H2,1H3,(H,6,7);;/q;+1;-1
InChIKeyGSLZDRPKSYGMDV-UHFFFAOYSA-N
XLogP-1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;2-methylidenebutanoic acid;hydrofluoride
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2-methylidenebutanoic acid;2-methylidenehexanoic acid
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bis(N,N-dimethylmethanamine);bis(2-methylidenebutanoic acid);2-methylidenepentanoic acid;hydrochloride
CID 173194624
furan-2,5-dione;2-methylidenebutanoic acid
CID 87835686
2-methylidenebutanoic acid;phenol;hydrate
CID 158804771
5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid
CID 173207382
2-methylidenebutanoic acid;N-methylmethanamine;methyl 2-methylprop-2-enoate
CID 175091133
2-methylidenebutanoate;2-methylprop-2-enoic acid
CID 22645756
propane;2-(sulfanylmethyl)prop-2-enoic acid
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CID 88770361

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-methylidenebutanoic acid?
The IUPAC name of lithium;hydride;2-methylidenebutanoic acid (CID 174729708) is lithium;hydride;2-methylidenebutanoic acid.
What is the SMILES notation for lithium;hydride;2-methylidenebutanoic acid?
The canonical SMILES for lithium;hydride;2-methylidenebutanoic acid is C=C(CC)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-methylidenebutanoic acid?
The InChIKey is GSLZDRPKSYGMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Li.H/c1-3-4(2)5(6)7;;/h2-3H2,1H3,(H,6,7);;/q;+1;-1.
What are the key properties of lithium;hydride;2-methylidenebutanoic acid?
lithium;hydride;2-methylidenebutanoic acid has a molecular weight of 108.07 g/mol, XLogP of -1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-methylidenebutanoic acid is sourced from PubChem (CID 174729708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).