sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene

C17H34NNaO4 — CID 175594549

IUPACsodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene
SMILESC=CCCCCCCCCC.CCC(=O)O.[H-].[H]/N=C(\C)C(=O)O.[Na+]
InChIInChI=1S/C11H22.C3H5NO2.C3H6O2.Na.H/c1-3-5-7-9-11-10-8-6-4-2;1-2(4)3(5)6;1-2-3(4)5;;/h3H,1,4-11H2,2H3;4H,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;;+1;-1/b;4-2+;;;
InChIKeyNZOHMUDAPVMRQD-IIDAYTPUSA-N
MW339.45 g/mol
LogP2.02
Rot. Bonds10

About sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene

sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene (PubChem CID 175594549) has the molecular formula C17H34NNaO4 and a molecular weight of 339.45 g/mol. Its IUPAC name is sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene.

Molecular Properties

Compound Namesodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene
PubChem CID175594549
Molecular FormulaC17H34NNaO4
Molecular Weight339.45 g/mol
Exact Mass339.24
IUPAC Namesodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene
SMILESC=CCCCCCCCCC.CCC(=O)O.[H-].[H]/N=C(\C)C(=O)O.[Na+]
InChIInChI=1S/C11H22.C3H5NO2.C3H6O2.Na.H/c1-3-5-7-9-11-10-8-6-4-2;1-2(4)3(5)6;1-2-3(4)5;;/h3H,1,4-11H2,2H3;4H,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;;+1;-1/b;4-2+;;;
InChIKeyNZOHMUDAPVMRQD-IIDAYTPUSA-N
XLogP2.02
TPSA98.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

sodium;dec-1-ene;hydride;2-iminopropanoic acid;propanoic acid
CID 175594517
hept-1-ene;2-iminopropanoic acid;propanoic acid
CID 175594538
hex-1-ene;2-iminopropanoic acid;propanoic acid
CID 175594560
acetic acid;oct-1-ene
CID 159976970
acetic acid;octadec-1-ene;zinc
CID 175392389
hept-1-ene;2-methylprop-2-enoic acid
CID 158713562
sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid
CID 175594507
dec-1-ene;dec-9-enoic acid
CID 87497067
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
azane;bis(barium(2+));hydride;bis(octadecanoic acid);undec-10-enoic acid
CID 173307096
potassium;hydride;octadec-1-ene
CID 175063573
magnesium;hydride;oct-1-ene
CID 174305748

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene?
The IUPAC name of sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene (CID 175594549) is sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene.
What is the SMILES notation for sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene?
The canonical SMILES for sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene is C=CCCCCCCCCC.CCC(=O)O.[H-].[H]/N=C(\C)C(=O)O.[Na+].
What is the InChIKey of sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene?
The InChIKey is NZOHMUDAPVMRQD-IIDAYTPUSA-N. The full InChI is InChI=1S/C11H22.C3H5NO2.C3H6O2.Na.H/c1-3-5-7-9-11-10-8-6-4-2;1-2(4)3(5)6;1-2-3(4)5;;/h3H,1,4-11H2,2H3;4H,1H3,(H,5,6);2H2,1H3,(H,4,5);;/q;;;+1;-1/b;4-2+;;;.
What are the key properties of sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene?
sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene has a molecular weight of 339.45 g/mol, XLogP of 2.02, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-iminopropanoic acid;propanoic acid;undec-1-ene is sourced from PubChem (CID 175594549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).