ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide

C11H19NO — CID 143184494

IUPACethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide
SMILESC=C.C=C(C)/C=C\CNC(=O)CC
InChIInChI=1S/C9H15NO.C2H4/c1-4-9(11)10-7-5-6-8(2)3;1-2/h5-6H,2,4,7H2,1,3H3,(H,10,11);1-2H2/b6-5-;
InChIKeyUXMNKPNSVVILQB-YSMBQZINSA-N
MW181.28 g/mol
LogP2.45
Rot. Bonds4

About ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide

ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide (PubChem CID 143184494) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide.

Molecular Properties

Compound Nameethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide
PubChem CID143184494
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide
SMILESC=C.C=C(C)/C=C\CNC(=O)CC
InChIInChI=1S/C9H15NO.C2H4/c1-4-9(11)10-7-5-6-8(2)3;1-2/h5-6H,2,4,7H2,1,3H3,(H,10,11);1-2H2/b6-5-;
InChIKeyUXMNKPNSVVILQB-YSMBQZINSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide
CID 171821385
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
2-methylhexa-1,3-diene;prop-2-enoic acid
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ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
CID 178113371
N-(3-methylbut-3-enyl)propanamide
CID 89197899
(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
CID 139250146
acetic acid;(3Z)-2-methylhepta-1,3-diene;propane
CID 145349004
N-(2-oxopropyl)propanamide
CID 23550155
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
N-(hydroxymethyl)propanamide;methylphosphonic acid
CID 175038682

Frequently Asked Questions

What is the IUPAC name of ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide?
The IUPAC name of ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide (CID 143184494) is ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide.
What is the SMILES notation for ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide?
The canonical SMILES for ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide is C=C.C=C(C)/C=C\CNC(=O)CC.
What is the InChIKey of ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide?
The InChIKey is UXMNKPNSVVILQB-YSMBQZINSA-N. The full InChI is InChI=1S/C9H15NO.C2H4/c1-4-9(11)10-7-5-6-8(2)3;1-2/h5-6H,2,4,7H2,1,3H3,(H,10,11);1-2H2/b6-5-;.
What are the key properties of ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide?
ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide has a molecular weight of 181.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide is sourced from PubChem (CID 143184494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).