N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one

C12H23N3O2 — CID 66896671

IUPACN-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one
SMILESC=CC(=O)NCCCN(C)C.O=C1CCCN1
InChIInChI=1S/C8H16N2O.C4H7NO/c1-4-8(11)9-6-5-7-10(2)3;6-4-2-1-3-5-4/h4H,1,5-7H2,2-3H3,(H,9,11);1-3H2,(H,5,6)
InChIKeyHXCKNRUPFKPQTQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.14
Rot. Bonds5

About N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one

N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one (PubChem CID 66896671) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one
PubChem CID66896671
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one
SMILESC=CC(=O)NCCCN(C)C.O=C1CCCN1
InChIInChI=1S/C8H16N2O.C4H7NO/c1-4-8(11)9-6-5-7-10(2)3;6-4-2-1-3-5-4/h4H,1,5-7H2,2-3H3,(H,9,11);1-3H2,(H,5,6)
InChIKeyHXCKNRUPFKPQTQ-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Prop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 156322
Prop-2-enimidic acid--1-ethenylpyrrolidin-2-one (1/1)
CID 168483
1-Ethenylpyrrolidin-2-one;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 3083175
N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
CID 4737347
Vinylpyrrolidone methacrylamidopropyldimethylamine
CID 66594908
1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide
CID 70115748
N-[3-(dimethylamino)propyl]acrylamide acrylamide
CID 86757471
3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 167529378
N-[3-(dibutylamino)propyl]prop-2-enamide
CID 10421785
N-[3-[butyl(methyl)amino]propyl]prop-2-enamide
CID 18366334
Acrylamidomethyl 2-oxopyrrolidine
CID 18414899
2-methyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 18464108

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one?
The IUPAC name of N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one (CID 66896671) is N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one.
What is the SMILES notation for N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one?
The canonical SMILES for N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one is C=CC(=O)NCCCN(C)C.O=C1CCCN1.
What is the InChIKey of N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one?
The InChIKey is HXCKNRUPFKPQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C4H7NO/c1-4-8(11)9-6-5-7-10(2)3;6-4-2-1-3-5-4/h4H,1,5-7H2,2-3H3,(H,9,11);1-3H2,(H,5,6).
What are the key properties of N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one?
N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]prop-2-enamide;pyrrolidin-2-one is sourced from PubChem (CID 66896671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).