(2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one

C18H31NO2 — CID 10685152

IUPAC(2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESC=CCCC[C@]1(CO)CCC[C@H]1[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C18H31NO2/c1-3-4-5-10-18(14-20)11-8-9-16(18)15(2)17(21)19-12-6-7-13-19/h3,15-16,20H,1,4-14H2,2H3/t15-,16-,18+/m0/s1
InChIKeyRPTMUXXITMGDPZ-XYJFISCASA-N
MW293.45 g/mol
LogP3.38
Rot. Bonds7

About (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 10685152) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID10685152
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESC=CCCC[C@]1(CO)CCC[C@H]1[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C18H31NO2/c1-3-4-5-10-18(14-20)11-8-9-16(18)15(2)17(21)19-12-6-7-13-19/h3,15-16,20H,1,4-14H2,2H3/t15-,16-,18+/m0/s1
InChIKeyRPTMUXXITMGDPZ-XYJFISCASA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2S)-2-[(1S,2S)-2-[(E)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
CID 10494966
(2S)-2-[(1S,2R)-2-(hydroxymethyl)-2-(5-methylhex-4-enyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
CID 10496025
(2S)-2-[(1S,2S)-2-[(Z)-hex-4-enyl]-2-(hydroxymethyl)cyclopentyl]-1-pyrrolidin-1-ylpropan-1-one
CID 10542784
trans-methyl (1S,2S)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-pent-4-enylcyclopentane-1-carboxylate
CID 10591880
Methyl 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1-pent-4-enylcyclopentane-1-carboxylate
CID 85197613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one (CID 10685152) is (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one is C=CCCC[C@]1(CO)CCC[C@H]1[C@H](C)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RPTMUXXITMGDPZ-XYJFISCASA-N. The full InChI is InChI=1S/C18H31NO2/c1-3-4-5-10-18(14-20)11-8-9-16(18)15(2)17(21)19-12-6-7-13-19/h3,15-16,20H,1,4-14H2,2H3/t15-,16-,18+/m0/s1.
What are the key properties of (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 293.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,2S)-2-(hydroxymethyl)-2-pent-4-enylcyclopentyl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 10685152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).