(4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one

C12H22N2O — CID 129126472

IUPAC(4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one
SMILESC=C(N)[C@H](CC)N1C[C@H](CCC)CC1=O
InChIInChI=1S/C12H22N2O/c1-4-6-10-7-12(15)14(8-10)11(5-2)9(3)13/h10-11H,3-8,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyNEJZKVVOPAHQFV-MNOVXSKESA-N
MW210.32 g/mol
LogP1.89
Rot. Bonds5

About (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one

(4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one (PubChem CID 129126472) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one
PubChem CID129126472
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one
SMILESC=C(N)[C@H](CC)N1C[C@H](CCC)CC1=O
InChIInChI=1S/C12H22N2O/c1-4-6-10-7-12(15)14(8-10)11(5-2)9(3)13/h10-11H,3-8,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyNEJZKVVOPAHQFV-MNOVXSKESA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Oxo-4-propylpyrrolidin-1-yl)pent-4-enamide
CID 9834460
2-(2-Amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
CID 142070789
4-Methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide
CID 22387172
(3R,5S)-5-(aminomethyl)-1-(2-methylpropyl)-3-prop-2-enylpyrrolidin-2-one
CID 57293441
2-(2-Methylidene-4-propylpyrrolidin-1-yl)butanamide
CID 67475165
(2S)-2-[(4S)-2-methylidene-4-(2-oxopropyl)pyrrolidin-1-yl]butanamide
CID 68090928
2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide
CID 129126441
5-(Dimethylamino)-2-ethyl-4-methyl-1-pyrrolidin-1-ylhex-5-en-1-one
CID 132100522
(3R,4S,5S)-3-ethyl-5-methyl-4-[methyl(4-methylpent-1-en-2-yl)amino]-1-pyrrolidin-1-ylheptan-1-one
CID 132172407
(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one
CID 139455843
3-(1-Pyrrolidin-1-ylethenyl)heptanamide
CID 142070816
1-[3-(Dimethylamino)propyl]-5-methylidene-3-(2-methylidenebutyl)pyrrolidin-2-one
CID 144496384

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one?
The IUPAC name of (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one (CID 129126472) is (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one is C=C(N)[C@H](CC)N1C[C@H](CCC)CC1=O.
What is the InChIKey of (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one?
The InChIKey is NEJZKVVOPAHQFV-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-10-7-12(15)14(8-10)11(5-2)9(3)13/h10-11H,3-8,13H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one?
(4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(3S)-2-aminopent-1-en-3-yl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 129126472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).