N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide

C9H14N2O2 — CID 118519319

IUPACN-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(=O)N(CC)C1
InChIInChI=1S/C9H14N2O2/c1-3-8(12)10-7-5-9(13)11(4-2)6-7/h3,7H,1,4-6H2,2H3,(H,10,12)
InChIKeyMDZBZHINYUKIQT-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.09
Rot. Bonds3

About N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide

N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide (PubChem CID 118519319) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide
PubChem CID118519319
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CC(=O)N(CC)C1
InChIInChI=1S/C9H14N2O2/c1-3-8(12)10-7-5-9(13)11(4-2)6-7/h3,7H,1,4-6H2,2H3,(H,10,12)
InChIKeyMDZBZHINYUKIQT-UHFFFAOYSA-N
XLogP-0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-3-(allylamino)-1-methyl-2-pyrrolidinone
CID 95365704
1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide
CID 70115748
(R)-1-(3-Aminopyrrolidin-1-yl)prop-2-en-1-one
CID 94339940
N-(2-(diethylamino)ethyl)-N-(3-(isopropylamino)-3-oxopropyl)-acrylamide
CID 139592629
N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide
CID 155030598
3-fluoro-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 167529378
1-[2-(Fluoromethyl)-3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 172577388
3,3,3-trifluoro-N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
CID 126824759
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-3-butenamide
CID 45182538
(S)-1-Acryloyl-N-methylpyrrolidine-2-carboxamide
CID 10035260
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide
CID 20567302
N-[2-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
CID 20567304

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide (CID 118519319) is N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide is C=CC(=O)NC1CC(=O)N(CC)C1.
What is the InChIKey of N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide?
The InChIKey is MDZBZHINYUKIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-8(12)10-7-5-9(13)11(4-2)6-7/h3,7H,1,4-6H2,2H3,(H,10,12).
What are the key properties of N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide?
N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide has a molecular weight of 182.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-oxopyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 118519319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).