N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide

C15H25N3O2 — CID 18671086

IUPACN-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(CC)(NC(=O)C(=C)CN1CCCC1=O)N(C)C
InChIInChI=1S/C15H25N3O2/c1-6-15(7-2,17(4)5)16-14(20)12(3)11-18-10-8-9-13(18)19/h6H,1,3,7-11H2,2,4-5H3,(H,16,20)
InChIKeyKXDGEUNVJWMPKV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.14
Rot. Bonds7

About N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide

N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide (PubChem CID 18671086) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
PubChem CID18671086
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(CC)(NC(=O)C(=C)CN1CCCC1=O)N(C)C
InChIInChI=1S/C15H25N3O2/c1-6-15(7-2,17(4)5)16-14(20)12(3)11-18-10-8-9-13(18)19/h6H,1,3,7-11H2,2,4-5H3,(H,16,20)
InChIKeyKXDGEUNVJWMPKV-UHFFFAOYSA-N
XLogP1.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-oxopyrrolidin-1-yl)methyl]-N-[(Z)-pent-2-en-3-yl]prop-2-enamide
CID 123396734
2-hydroxyethyl 2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enoate
CID 140694513
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
N-[2-(dimethylamino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 21327798
azane;1-prop-2-enylpyrrolidin-2-one
CID 174828980
1-(2-hydroxyiminopropyl)pyrrolidin-2-one
CID 72586532
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115700259
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide
CID 155217075
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115968684
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propylacetamide
CID 56810104

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide (CID 18671086) is N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide is C=CC(CC)(NC(=O)C(=C)CN1CCCC1=O)N(C)C.
What is the InChIKey of N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
The InChIKey is KXDGEUNVJWMPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-15(7-2,17(4)5)16-14(20)12(3)11-18-10-8-9-13(18)19/h6H,1,3,7-11H2,2,4-5H3,(H,16,20).
What are the key properties of N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)pent-1-en-3-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 18671086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).