2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide

C17H23NO — CID 140757697

IUPAC2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide
SMILESCC=CC(=CC=CCC=CC=CC=CCC)C(N)=O
InChIInChI=1S/C17H23NO/c1-3-5-6-7-8-9-10-11-12-13-15-16(14-4-2)17(18)19/h4-10,12-15H,3,11H2,1-2H3,(H2,18,19)
InChIKeyRHHAGUKIJYUHSY-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.00
Rot. Bonds8

About 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide

2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide (PubChem CID 140757697) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide.

Molecular Properties

Compound Name2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide
PubChem CID140757697
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide
SMILESCC=CC(=CC=CCC=CC=CC=CCC)C(N)=O
InChIInChI=1S/C17H23NO/c1-3-5-6-7-8-9-10-11-12-13-15-16(14-4-2)17(18)19/h4-10,12-15H,3,11H2,1-2H3,(H2,18,19)
InChIKeyRHHAGUKIJYUHSY-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one
CID 143358490
(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide
CID 166872953
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide
CID 131986635
(3E,5E)-octa-3,5-dienamide
CID 55289592
(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid
CID 143619943
deca-2,4,7-trienoic acid
CID 54400863
ethyl hepta-2,4-dienoate
CID 54483010
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
(2Z,4Z,7E)-deca-2,4,7-triene
CID 142167538
ethyl (2E,4E,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-2,4,7,10,13,16,19-heptaenoate
CID 25008049
icosa-2,5,8,11,14,17-hexaenamide
CID 91451907

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide?
The IUPAC name of 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide (CID 140757697) is 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide.
What is the SMILES notation for 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide?
The canonical SMILES for 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide is CC=CC(=CC=CCC=CC=CC=CCC)C(N)=O.
What is the InChIKey of 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide?
The InChIKey is RHHAGUKIJYUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-5-6-7-8-9-10-11-12-13-15-16(14-4-2)17(18)19/h4-10,12-15H,3,11H2,1-2H3,(H2,18,19).
What are the key properties of 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide?
2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide has a molecular weight of 257.38 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide is sourced from PubChem (CID 140757697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).