2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide

C19H37N3O2 — CID 142070812

IUPAC2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide
SMILESC=C(N)CC(CCCC)C(=O)N1CCCC1.CCC(C)(C)NC=O
InChIInChI=1S/C13H24N2O.C6H13NO/c1-3-4-7-12(10-11(2)14)13(16)15-8-5-6-9-15;1-4-6(2,3)7-5-8/h12H,2-10,14H2,1H3;5H,4H2,1-3H3,(H,7,8)
InChIKeyLRRNZNMMIVDKPS-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.20
Rot. Bonds9

About 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide

2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide (PubChem CID 142070812) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide.

Molecular Properties

Compound Name2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide
PubChem CID142070812
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide
SMILESC=C(N)CC(CCCC)C(=O)N1CCCC1.CCC(C)(C)NC=O
InChIInChI=1S/C13H24N2O.C6H13NO/c1-3-4-7-12(10-11(2)14)13(16)15-8-5-6-9-15;1-4-6(2,3)7-5-8/h12H,2-10,14H2,1H3;5H,4H2,1-3H3,(H,7,8)
InChIKeyLRRNZNMMIVDKPS-UHFFFAOYSA-N
XLogP3.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
CID 142070789
1-hexadecyl-N-hexyl-5-methylidenepyrrolidine-3-carboxamide
CID 90273569
1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
CID 122534287
N-butyl-1-dodecyl-5-methylidenepyrrolidine-3-carboxamide
CID 122534308
1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
CID 122534315
2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine
CID 142070788
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine
CID 142070801
1-Hexyl-4-[1-(hexylamino)ethenyl]pyrrolidin-2-one;propane
CID 144293848
N-butyl-1-heptyl-5-methylidenepyrrolidine-3-carboxamide;propane
CID 144293865
4-[1-(Ethylamino)ethenyl]-1-heptylpyrrolidin-2-one;pentane
CID 144293876
ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide
CID 145076925
pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one
CID 145305672

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide?
The IUPAC name of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide (CID 142070812) is 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide.
What is the SMILES notation for 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide?
The canonical SMILES for 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide is C=C(N)CC(CCCC)C(=O)N1CCCC1.CCC(C)(C)NC=O.
What is the InChIKey of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide?
The InChIKey is LRRNZNMMIVDKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C6H13NO/c1-3-4-7-12(10-11(2)14)13(16)15-8-5-6-9-15;1-4-6(2,3)7-5-8/h12H,2-10,14H2,1H3;5H,4H2,1-3H3,(H,7,8).
What are the key properties of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide?
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide has a molecular weight of 339.52 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide is sourced from PubChem (CID 142070812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).