N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide

C14H24N2O2 — CID 155217075

IUPACN-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCN1CCCC1=O
InChIInChI=1S/C14H24N2O2/c1-3-13(17)15(2)10-6-4-5-7-11-16-12-8-9-14(16)18/h3H,1,4-12H2,2H3
InChIKeyCVUBCBJFOYFXJY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.81
Rot. Bonds8

About N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide

N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide (PubChem CID 155217075) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide
PubChem CID155217075
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCN1CCCC1=O
InChIInChI=1S/C14H24N2O2/c1-3-13(17)15(2)10-6-4-5-7-11-16-12-8-9-14(16)18/h3H,1,4-12H2,2H3
InChIKeyCVUBCBJFOYFXJY-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[2-[5-hydroxypentyl(methyl)amino]ethyl]pyrrolidin-2-one
CID 111122278
1-undec-10-enylpiperidin-2-one
CID 23295884
6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;6-(2-oxopyrrolidin-1-yl)hexyl acetate
CID 145314594
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
butane-1-sulfonic acid;1-octylpyrrolidin-2-one
CID 174526304
trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 23918
N,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 130233945
1-dodecylpyrrolidin-2-one;1-ethylpyrrolidin-2-one;1-methylpyrrolidin-2-one
CID 157493291
3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
CID 129048427

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide (CID 155217075) is N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide is C=CC(=O)N(C)CCCCCCN1CCCC1=O.
What is the InChIKey of N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide?
The InChIKey is CVUBCBJFOYFXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-13(17)15(2)10-6-4-5-7-11-16-12-8-9-14(16)18/h3H,1,4-12H2,2H3.
What are the key properties of N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide?
N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide is sourced from PubChem (CID 155217075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).