potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene

C14H22KNO3 — CID 144920830

IUPACpotassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene
SMILESC/C=C(C)/C=C/C(=O)[N-]CCCC(=O)O.C=CC.[K+]
InChIInChI=1S/C11H17NO3.C3H6.K/c1-3-9(2)6-7-10(13)12-8-4-5-11(14)15;1-3-2;/h3,6-7H,4-5,8H2,1-2H3,(H2,12,13,14,15);3H,1H2,2H3;/q;;+1/p-1/b7-6+,9-3+;;
InChIKeyFUFBIHKCHSFDFQ-RWNWNGJQSA-M
MW291.43 g/mol
LogP0.47
Rot. Bonds6

About potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene

potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene (PubChem CID 144920830) has the molecular formula C14H22KNO3 and a molecular weight of 291.43 g/mol. Its IUPAC name is potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene.

Molecular Properties

Compound Namepotassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene
PubChem CID144920830
Molecular FormulaC14H22KNO3
Molecular Weight291.43 g/mol
Exact Mass291.12
IUPAC Namepotassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene
SMILESC/C=C(C)/C=C/C(=O)[N-]CCCC(=O)O.C=CC.[K+]
InChIInChI=1S/C11H17NO3.C3H6.K/c1-3-9(2)6-7-10(13)12-8-4-5-11(14)15;1-3-2;/h3,6-7H,4-5,8H2,1-2H3,(H2,12,13,14,15);3H,1H2,2H3;/q;;+1/p-1/b7-6+,9-3+;;
InChIKeyFUFBIHKCHSFDFQ-RWNWNGJQSA-M
XLogP0.47
TPSA68.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene?
The IUPAC name of potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene (CID 144920830) is potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene.
What is the SMILES notation for potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene?
The canonical SMILES for potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene is C/C=C(C)/C=C/C(=O)[N-]CCCC(=O)O.C=CC.[K+].
What is the InChIKey of potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene?
The InChIKey is FUFBIHKCHSFDFQ-RWNWNGJQSA-M. The full InChI is InChI=1S/C11H17NO3.C3H6.K/c1-3-9(2)6-7-10(13)12-8-4-5-11(14)15;1-3-2;/h3,6-7H,4-5,8H2,1-2H3,(H2,12,13,14,15);3H,1H2,2H3;/q;;+1/p-1/b7-6+,9-3+;;.
What are the key properties of potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene?
potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene has a molecular weight of 291.43 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-carboxypropyl-[(2E,4E)-4-methylhexa-2,4-dienoyl]azanide;prop-1-ene is sourced from PubChem (CID 144920830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).