sodium;2-benzylprop-2-enoic acid;hydride

C10H11NaO2 — CID 174441336

IUPACsodium;2-benzylprop-2-enoic acid;hydride
SMILESC=C(Cc1ccccc1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C10H10O2.Na.H/c1-8(10(11)12)7-9-5-3-2-4-6-9;;/h2-6H,1,7H2,(H,11,12);;/q;+1;-1
InChIKeyIHWXLCKJDZZFEC-UHFFFAOYSA-N
MW186.19 g/mol
LogP-1.01
Rot. Bonds3

About sodium;2-benzylprop-2-enoic acid;hydride

sodium;2-benzylprop-2-enoic acid;hydride (PubChem CID 174441336) has the molecular formula C10H11NaO2 and a molecular weight of 186.19 g/mol. Its IUPAC name is sodium;2-benzylprop-2-enoic acid;hydride.

Molecular Properties

Compound Namesodium;2-benzylprop-2-enoic acid;hydride
PubChem CID174441336
Molecular FormulaC10H11NaO2
Molecular Weight186.19 g/mol
Exact Mass186.07
IUPAC Namesodium;2-benzylprop-2-enoic acid;hydride
SMILESC=C(Cc1ccccc1)C(=O)O.[H-].[Na+]
InChIInChI=1S/C10H10O2.Na.H/c1-8(10(11)12)7-9-5-3-2-4-6-9;;/h2-6H,1,7H2,(H,11,12);;/q;+1;-1
InChIKeyIHWXLCKJDZZFEC-UHFFFAOYSA-N
XLogP-1.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium;2-benzylprop-2-enoic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylprop-2-enoic acid;(2R)-2-methyl-3-phenylpropanoic acid
CID 157160595
2-benzyl-N,N-dimethylprop-2-enamide
CID 67100318
methyl 2-benzylprop-2-enoate
CID 575761
2-(chloromethyl)prop-2-enoic acid;methyl 2-benzylprop-2-enoate
CID 175543990
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid
CID 66675508
2-[[7-(2-carboxyprop-2-enyl)naphthalen-2-yl]methyl]prop-2-enoic acid
CID 19025962
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-benzylprop-2-enoic acid;ethyl acetate;bis(ethyl 2-phenylprop-2-enoate)
CID 174947612
CID 66648455
CID 66648455
2-[(4-methoxycarbonylphenyl)methyl]prop-2-enoic acid
CID 57123056

Frequently Asked Questions

What is the IUPAC name of sodium;2-benzylprop-2-enoic acid;hydride?
The IUPAC name of sodium;2-benzylprop-2-enoic acid;hydride (CID 174441336) is sodium;2-benzylprop-2-enoic acid;hydride.
What is the SMILES notation for sodium;2-benzylprop-2-enoic acid;hydride?
The canonical SMILES for sodium;2-benzylprop-2-enoic acid;hydride is C=C(Cc1ccccc1)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-benzylprop-2-enoic acid;hydride?
The InChIKey is IHWXLCKJDZZFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.Na.H/c1-8(10(11)12)7-9-5-3-2-4-6-9;;/h2-6H,1,7H2,(H,11,12);;/q;+1;-1.
What are the key properties of sodium;2-benzylprop-2-enoic acid;hydride?
sodium;2-benzylprop-2-enoic acid;hydride has a molecular weight of 186.19 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-benzylprop-2-enoic acid;hydride is sourced from PubChem (CID 174441336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).