(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane

C12H17NO3 — CID 143265988

IUPAC(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane
SMILESC=C/C=C(\C=C/C)CC(=O)C(=O)N=O.CC
InChIInChI=1S/C10H11NO3.C2H6/c1-3-5-8(6-4-2)7-9(12)10(13)11-14;1-2/h3-6H,1,7H2,2H3;1-2H3/b6-4-,8-5+;
InChIKeyNGEVJMCQPZFFBO-CSXGQTSLSA-N
MW223.27 g/mol
LogP2.95
Rot. Bonds5

About (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane

(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane (PubChem CID 143265988) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane.

Molecular Properties

Compound Name(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane
PubChem CID143265988
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane
SMILESC=C/C=C(\C=C/C)CC(=O)C(=O)N=O.CC
InChIInChI=1S/C10H11NO3.C2H6/c1-3-5-8(6-4-2)7-9(12)10(13)11-14;1-2/h3-6H,1,7H2,2H3;1-2H3/b6-4-,8-5+;
InChIKeyNGEVJMCQPZFFBO-CSXGQTSLSA-N
XLogP2.95
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 166868320
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid
CID 143432503
ethane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 142107986
(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
CID 163240839
(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
CID 89001510
bromomethane;ethane;ethene;methane;[[(5Z)-5-[(Z)-prop-1-enyl]octa-5,7-dienoyl]amino]urea
CID 144804327
(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene
CID 143921031
(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 134516324

Frequently Asked Questions

What is the IUPAC name of (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane?
The IUPAC name of (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane (CID 143265988) is (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane.
What is the SMILES notation for (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane?
The canonical SMILES for (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane is C=C/C=C(\C=C/C)CC(=O)C(=O)N=O.CC.
What is the InChIKey of (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane?
The InChIKey is NGEVJMCQPZFFBO-CSXGQTSLSA-N. The full InChI is InChI=1S/C10H11NO3.C2H6/c1-3-5-8(6-4-2)7-9(12)10(13)11-14;1-2/h3-6H,1,7H2,2H3;1-2H3/b6-4-,8-5+;.
What are the key properties of (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane?
(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane has a molecular weight of 223.27 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane is sourced from PubChem (CID 143265988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).