(2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide

C14H22N2O2 — CID 59032011

IUPAC(2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCC(=O)N1CCC[C@@H]1C(=O)N(CC)CC=C
InChIInChI=1S/C14H22N2O2/c1-4-8-13(17)16-11-7-9-12(16)14(18)15(6-3)10-5-2/h4-5,12H,1-2,6-11H2,3H3/t12-/m1/s1
InChIKeyNMVMNZOVVPKBBO-GFCCVEGCSA-N
MW250.34 g/mol
LogP1.59
Rot. Bonds6

About (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide

(2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 59032011) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID59032011
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCC(=O)N1CCC[C@@H]1C(=O)N(CC)CC=C
InChIInChI=1S/C14H22N2O2/c1-4-8-13(17)16-11-7-9-12(16)14(18)15(6-3)10-5-2/h4-5,12H,1-2,6-11H2,3H3/t12-/m1/s1
InChIKeyNMVMNZOVVPKBBO-GFCCVEGCSA-N
XLogP1.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoacetyl)-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305869
1-(4-aminobutanoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 119305882
1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one
CID 62677215
1-butanoyl-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 87023977
N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 21365849
N-ethyl-N-prop-2-enyloxolane-2-carboxamide
CID 84558498
1-(2-aminopentanoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 119305878
(2S)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119366282
(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119372155
N-ethyl-N-(2-hydroxyethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 110906282
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79277475
N-ethyl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 81490031

Frequently Asked Questions

What is the IUPAC name of (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide (CID 59032011) is (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCC(=O)N1CCC[C@@H]1C(=O)N(CC)CC=C.
What is the InChIKey of (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is NMVMNZOVVPKBBO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-8-13(17)16-11-7-9-12(16)14(18)15(6-3)10-5-2/h4-5,12H,1-2,6-11H2,3H3/t12-/m1/s1.
What are the key properties of (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide?
(2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-but-3-enoyl-N-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59032011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).