ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide

C12H23NO — CID 143137226

IUPACethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/NC(C)=O.C=C/C=C\C.CC
InChIInChI=1S/C5H9NO.C5H8.C2H6/c1-3-4-6-5(2)7;1-3-5-4-2;1-2/h3-4H,1-2H3,(H,6,7);3-5H,1H2,2H3;1-2H3/b4-3+;5-4-;
InChIKeyNZXMDEWRDKJMMB-CHBDRQJASA-N
MW197.32 g/mol
LogP3.43
Rot. Bonds2

About ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide

ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide (PubChem CID 143137226) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide.

Molecular Properties

Compound Nameethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide
PubChem CID143137226
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/NC(C)=O.C=C/C=C\C.CC
InChIInChI=1S/C5H9NO.C5H8.C2H6/c1-3-4-6-5(2)7;1-3-5-4-2;1-2/h3-4H,1-2H3,(H,6,7);3-5H,1H2,2H3;1-2H3/b4-3+;5-4-;
InChIKeyNZXMDEWRDKJMMB-CHBDRQJASA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(prop-1-en-1-yl)acetamide
CID 5325885
(E)-N-(prop-1-en-1-yl)acetamide
CID 11804682
N-[(1E)-buta-1,3-dienyl]acetamide
CID 15836325
N-propenylacetamide
CID 53935447
Azecinone
CID 129654418
N-[(1Z,3E,5Z)-2,4-difluorohepta-1,3,5-trienyl]acetamide
CID 141975471
N-[(1Z)-buta-1,3-dienyl]acetamide
CID 15836324
N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide
CID 167498199
methane;1H-pyridin-2-one
CID 21954262
N-methyl-7-(methylamino)hepta-2,4,6-trienamide
CID 53756333
N-buta-1,3-dienylacetamide
CID 54002309
N-buta-1,3-dienyl-2-methylpropanamide
CID 56975603

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide?
The IUPAC name of ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide (CID 143137226) is ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide.
What is the SMILES notation for ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide?
The canonical SMILES for ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide is C/C=C/NC(C)=O.C=C/C=C\C.CC.
What is the InChIKey of ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide?
The InChIKey is NZXMDEWRDKJMMB-CHBDRQJASA-N. The full InChI is InChI=1S/C5H9NO.C5H8.C2H6/c1-3-4-6-5(2)7;1-3-5-4-2;1-2/h3-4H,1-2H3,(H,6,7);3-5H,1H2,2H3;1-2H3/b4-3+;5-4-;.
What are the key properties of ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide?
ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide has a molecular weight of 197.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-penta-1,3-diene;N-[(E)-prop-1-enyl]acetamide is sourced from PubChem (CID 143137226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).