butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide

C14H25NO2 — CID 142225178

IUPACbutan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
SMILESC=C/C=C(\C=C/C)NC=O.CC.CCC(C)=O
InChIInChI=1S/C8H11NO.C4H8O.C2H6/c1-3-5-8(6-4-2)9-7-10;1-3-4(2)5;1-2/h3-7H,1H2,2H3,(H,9,10);3H2,1-2H3;1-2H3/b6-4-,8-5+;;
InChIKeyVXAZWFDQIGKVAV-WGVBJJOMSA-N
MW239.36 g/mol
LogP3.39
Rot. Bonds5

About butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide

butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide (PubChem CID 142225178) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide.

Molecular Properties

Compound Namebutan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
PubChem CID142225178
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namebutan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
SMILESC=C/C=C(\C=C/C)NC=O.CC.CCC(C)=O
InChIInChI=1S/C8H11NO.C4H8O.C2H6/c1-3-5-8(6-4-2)9-7-10;1-3-4(2)5;1-2/h3-7H,1H2,2H3,(H,9,10);3H2,1-2H3;1-2H3/b6-4-,8-5+;;
InChIKeyVXAZWFDQIGKVAV-WGVBJJOMSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
CID 144727165
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474
butan-2-one;bis((E)-pent-3-en-2-one);propan-2-one
CID 157357087
ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide
CID 145294280
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
CID 142315357
2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol
CID 142933959
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol
CID 146261857
butan-2-one;ethane
CID 158905935
(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide
CID 143020297
(5E)-4-methylimino-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-one
CID 143449750

Frequently Asked Questions

What is the IUPAC name of butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide?
The IUPAC name of butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide (CID 142225178) is butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide.
What is the SMILES notation for butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide?
The canonical SMILES for butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide is C=C/C=C(\C=C/C)NC=O.CC.CCC(C)=O.
What is the InChIKey of butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide?
The InChIKey is VXAZWFDQIGKVAV-WGVBJJOMSA-N. The full InChI is InChI=1S/C8H11NO.C4H8O.C2H6/c1-3-5-8(6-4-2)9-7-10;1-3-4(2)5;1-2/h3-7H,1H2,2H3,(H,9,10);3H2,1-2H3;1-2H3/b6-4-,8-5+;;.
What are the key properties of butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide?
butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide has a molecular weight of 239.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide is sourced from PubChem (CID 142225178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).