methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate

C14H21NO3 — CID 11161063

IUPACmethyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate
SMILESC=CCCN1C(=O)CC[C@H]1[C@@H](C=C)CC(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-6-9-15-12(7-8-13(15)16)11(5-2)10-14(17)18-3/h4-5,11-12H,1-2,6-10H2,3H3/t11-,12-/m0/s1
InChIKeySRWLPIOQRBHIAZ-RYUDHWBXSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds7

About methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate

methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate (PubChem CID 11161063) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate
PubChem CID11161063
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate
SMILESC=CCCN1C(=O)CC[C@H]1[C@@H](C=C)CC(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-6-9-15-12(7-8-13(15)16)11(5-2)10-14(17)18-3/h4-5,11-12H,1-2,6-10H2,3H3/t11-,12-/m0/s1
InChIKeySRWLPIOQRBHIAZ-RYUDHWBXSA-N
XLogP1.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(2S)-5-oxo-1-pent-4-enylpyrrolidin-2-yl]but-3-enoate
CID 16680382
(S)-2-((S)-1-allyl-5-oxopyrrolidin-2-yl)pent-4-enoic acid
CID 177823745
tert-butyl (2S)-2-[(2R)-1-methoxy-1-oxopent-4-en-2-yl]pyrrolidine-1-carboxylate
CID 21626750
methyl (2R)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]pent-4-enoate
CID 58813127
(S)-methyl 2-((S)-3-butyl-2-oxopyrrolidin-1-yl)pent-4-enoate
CID 58813147
methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]pent-4-enoate
CID 69312078
Methyl 2-(3-butyl-2-oxopyrrolidin-1-yl)pent-4-enoate
CID 69312079
Tert-butyl 2-(5-ethoxy-5-oxopent-1-en-3-yl)pyrrolidine-1-carboxylate
CID 101086374
trans-methyl (1R,2R)-2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylate
CID 123322148
Methyl 2-[hex-5-enyl(methyl)carbamoyl]cyclopentane-1-carboxylate
CID 132064850
Ethyl 3-(1-methylpyrrolidin-2-yl)pent-4-enoate
CID 141799859
methyl 7-[2-[(E)-4-methyldec-1-en-6-ynyl]-5-oxopyrrolidin-1-yl]heptanoate
CID 144708763

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate?
The IUPAC name of methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate (CID 11161063) is methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate.
What is the SMILES notation for methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate?
The canonical SMILES for methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate is C=CCCN1C(=O)CC[C@H]1[C@@H](C=C)CC(=O)OC.
What is the InChIKey of methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate?
The InChIKey is SRWLPIOQRBHIAZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-6-9-15-12(7-8-13(15)16)11(5-2)10-14(17)18-3/h4-5,11-12H,1-2,6-10H2,3H3/t11-,12-/m0/s1.
What are the key properties of methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate?
methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate has a molecular weight of 251.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(2S)-1-but-3-enyl-5-oxopyrrolidin-2-yl]pent-4-enoate is sourced from PubChem (CID 11161063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).