N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide

C15H24N2O — CID 123896834

IUPACN-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide
SMILESCC=CC(C)=C(C=CC)NC(=O)CN1CCCC1
InChIInChI=1S/C15H24N2O/c1-4-8-13(3)14(9-5-2)16-15(18)12-17-10-6-7-11-17/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,16,18)
InChIKeyICCAFLLNOILNDA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds5

About N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide

N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 123896834) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID123896834
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide
SMILESCC=CC(C)=C(C=CC)NC(=O)CN1CCCC1
InChIInChI=1S/C15H24N2O/c1-4-8-13(3)14(9-5-2)16-15(18)12-17-10-6-7-11-17/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,16,18)
InChIKeyICCAFLLNOILNDA-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide
CID 67561835
2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
CID 67562657
(3Z,5Z,6E)-5-ethylidene-6-(methylamino)-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]nona-3,6,8-trienamide
CID 89096767
(3Z,5E)-5-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylidenehepta-3,5-dien-1-one
CID 89323553
2-(diethylamino)-N-(2,6-dimethylhepta-2,4,6-trienyl)acetamide
CID 123468915
N-(2,4-dimethylocta-1,3,5-trien-3-yl)-2-[ethyl(methyl)amino]acetamide
CID 123491190
2-(diethylamino)-N-(2,7-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
CID 130180921
2-(diethylamino)-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)acetamide
CID 130180953
[(2Z,4Z,6Z)-3-[[2-[ethyl(methyl)amino]acetyl]amino]-4-methylocta-2,4,6-trien-2-yl] thiocyanate
CID 135129842
(5Z)-6-methyl-4-prop-2-enyl-3,7,10,11-tetrahydro-1H-1,4-benzodiazonin-2-one
CID 135161153
2-(methylamino)-N-[2-[5-(methylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]acetamide
CID 135235174
2-[[(1S)-4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl]amino]-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 135265819

Frequently Asked Questions

What is the IUPAC name of N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide (CID 123896834) is N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide is CC=CC(C)=C(C=CC)NC(=O)CN1CCCC1.
What is the InChIKey of N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is ICCAFLLNOILNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-8-13(3)14(9-5-2)16-15(18)12-17-10-6-7-11-17/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,16,18).
What are the key properties of N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide?
N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylocta-2,4,6-trien-4-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 123896834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).