sodium 11-(prop-2-enoylamino)undec-2-enoate

C14H22NNaO3 — CID 141249552

IUPACsodium 11-(prop-2-enoylamino)undec-2-enoate
SMILESC=CC(=O)NCCCCCCCCC=CC(=O)[O-].[Na+]
InChIInChI=1S/C14H23NO3.Na/c1-2-13(16)15-12-10-8-6-4-3-5-7-9-11-14(17)18;/h2,9,11H,1,3-8,10,12H2,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyHBRZZRFCLUTLOU-UHFFFAOYSA-M
MW275.32 g/mol
LogP-1.67
Rot. Bonds11

About sodium 11-(prop-2-enoylamino)undec-2-enoate

sodium 11-(prop-2-enoylamino)undec-2-enoate (PubChem CID 141249552) has the molecular formula C14H22NNaO3 and a molecular weight of 275.32 g/mol. Its IUPAC name is sodium 11-(prop-2-enoylamino)undec-2-enoate.

Molecular Properties

Compound Namesodium 11-(prop-2-enoylamino)undec-2-enoate
PubChem CID141249552
Molecular FormulaC14H22NNaO3
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Namesodium 11-(prop-2-enoylamino)undec-2-enoate
SMILESC=CC(=O)NCCCCCCCCC=CC(=O)[O-].[Na+]
InChIInChI=1S/C14H23NO3.Na/c1-2-13(16)15-12-10-8-6-4-3-5-7-9-11-14(17)18;/h2,9,11H,1,3-8,10,12H2,(H,15,16)(H,17,18);/q;+1/p-1
InChIKeyHBRZZRFCLUTLOU-UHFFFAOYSA-M
XLogP-1.67
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
sodium 8-(prop-2-enoylamino)octane-1-sulfonate
CID 141402013
N-heptadecylprop-2-enamide
CID 20727742
N-[(E)-8-iodooct-4-enyl]prop-2-enamide
CID 10990443
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
carbonic acid;N-hexylprop-2-enamide
CID 22445987
CID 131887558
CID 131887558
8-(prop-2-enoylamino)octane-1-sulfonic acid
CID 21454264
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
lead(2+);bis(undec-2-enoate)
CID 87254257

Frequently Asked Questions

What is the IUPAC name of sodium 11-(prop-2-enoylamino)undec-2-enoate?
The IUPAC name of sodium 11-(prop-2-enoylamino)undec-2-enoate (CID 141249552) is sodium 11-(prop-2-enoylamino)undec-2-enoate.
What is the SMILES notation for sodium 11-(prop-2-enoylamino)undec-2-enoate?
The canonical SMILES for sodium 11-(prop-2-enoylamino)undec-2-enoate is C=CC(=O)NCCCCCCCCC=CC(=O)[O-].[Na+].
What is the InChIKey of sodium 11-(prop-2-enoylamino)undec-2-enoate?
The InChIKey is HBRZZRFCLUTLOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23NO3.Na/c1-2-13(16)15-12-10-8-6-4-3-5-7-9-11-14(17)18;/h2,9,11H,1,3-8,10,12H2,(H,15,16)(H,17,18);/q;+1/p-1.
What are the key properties of sodium 11-(prop-2-enoylamino)undec-2-enoate?
sodium 11-(prop-2-enoylamino)undec-2-enoate has a molecular weight of 275.32 g/mol, XLogP of -1.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 11-(prop-2-enoylamino)undec-2-enoate is sourced from PubChem (CID 141249552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).