methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate

C19H31NO3 — CID 85197613

IUPACmethyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate
SMILESC=CCCCC1(C(=O)OC)CCCC1C(C)C(=O)N1CCCC1
InChIInChI=1S/C19H31NO3/c1-4-5-6-11-19(18(22)23-3)12-9-10-16(19)15(2)17(21)20-13-7-8-14-20/h4,15-16H,1,5-14H2,2-3H3
InChIKeyCOCXYEXBAPMIBW-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.56
Rot. Bonds7

About methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate

methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate (PubChem CID 85197613) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate
PubChem CID85197613
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Namemethyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate
SMILESC=CCCCC1(C(=O)OC)CCCC1C(C)C(=O)N1CCCC1
InChIInChI=1S/C19H31NO3/c1-4-5-6-11-19(18(22)23-3)12-9-10-16(19)15(2)17(21)20-13-7-8-14-20/h4,15-16H,1,5-14H2,2-3H3
InChIKeyCOCXYEXBAPMIBW-UHFFFAOYSA-N
XLogP3.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-methyl (1S,2S)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-pent-4-enylcyclopentane-1-carboxylate
CID 10591880
trans-methyl (1S,2S)-1-[(Z)-hex-4-enyl]-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxylate
CID 10616800
trans-methyl (1S,2S)-1-[(E)-hex-4-enyl]-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxylate
CID 10664541
(2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
CID 10685152
trans-methyl (1R,2S)-1-(5-methylhex-4-enyl)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxylate
CID 10760260
cis-dimethyl (3S,4R)-3-ethenyl-4-(pyrrolidine-1-carbonyl)cyclopentane-1,1-dicarboxylate
CID 101363040
cis-dimethyl (3S,4R)-3-ethenyl-4-(2-oxopyrrolidine-1-carbonyl)cyclopentane-1,1-dicarboxylate
CID 101363044

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate (CID 85197613) is methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate is C=CCCCC1(C(=O)OC)CCCC1C(C)C(=O)N1CCCC1.
What is the InChIKey of methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate?
The InChIKey is COCXYEXBAPMIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-4-5-6-11-19(18(22)23-3)12-9-10-16(19)15(2)17(21)20-13-7-8-14-20/h4,15-16H,1,5-14H2,2-3H3.
What are the key properties of methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate?
methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate has a molecular weight of 321.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate is sourced from PubChem (CID 85197613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).