N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide

C14H21NO — CID 171821385

IUPACN-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide
SMILESC=C(C)/C=C/CNC(=O)CC1CC1C=CC
InChIInChI=1S/C14H21NO/c1-4-6-12-9-13(12)10-14(16)15-8-5-7-11(2)3/h4-7,12-13H,2,8-10H2,1,3H3,(H,15,16)/b6-4?,7-5+
InChIKeyIPVJMOWAAOGGMC-PKSVUWDWSA-N
MW219.33 g/mol
LogP2.84
Rot. Bonds6

About N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide

N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide (PubChem CID 171821385) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide
PubChem CID171821385
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide
SMILESC=C(C)/C=C/CNC(=O)CC1CC1C=CC
InChIInChI=1S/C14H21NO/c1-4-6-12-9-13(12)10-14(16)15-8-5-7-11(2)3/h4-7,12-13H,2,8-10H2,1,3H3,(H,15,16)/b6-4?,7-5+
InChIKeyIPVJMOWAAOGGMC-PKSVUWDWSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.84
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

ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide
CID 143184494
2-(2-prop-1-enylcyclopropyl)acetic acid
CID 123975419
(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
CID 139250146
4-ethyl-3-[(Z)-prop-1-enyl]cyclohexan-1-ol
CID 176921252
methyl (E)-4-[(2-cyclohexylacetyl)amino]but-2-enoate
CID 154876830
(E)-N-prop-1-en-2-ylbut-2-en-1-amine
CID 148701654
2-[2-[(2Z)-4-methylpenta-2,4-dienyl]-3-oxocyclopentyl]acetic acid
CID 25190960
dimethyl 2-[(2E)-4-methylpenta-2,4-dienyl]propanedioate
CID 14737677
N-[(E)-but-2-enyl]-2-(1-methylcyclopropyl)acetamide
CID 178011558
[2-(but-2-enylamino)-2-oxoethyl] carbonochloridate
CID 54270413
N-[(E)-4-chlorobut-2-enyl]-2-cyclopropylacetamide
CID 81431115
N-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide?
The IUPAC name of N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide (CID 171821385) is N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide.
What is the SMILES notation for N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide?
The canonical SMILES for N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide is C=C(C)/C=C/CNC(=O)CC1CC1C=CC.
What is the InChIKey of N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide?
The InChIKey is IPVJMOWAAOGGMC-PKSVUWDWSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-12-9-13(12)10-14(16)15-8-5-7-11(2)3/h4-7,12-13H,2,8-10H2,1,3H3,(H,15,16)/b6-4?,7-5+.
What are the key properties of N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide?
N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide has a molecular weight of 219.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4-methylpenta-2,4-dienyl]-2-(2-prop-1-enylcyclopropyl)acetamide is sourced from PubChem (CID 171821385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).