(5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane

C15H29NO2 — CID 162036909

IUPAC(5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane
SMILESCC.CCCCN1C(=O)CC[C@@H]1/C=C/CC(C)O
InChIInChI=1S/C13H23NO2.C2H6/c1-3-4-10-14-12(8-9-13(14)16)7-5-6-11(2)15;1-2/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3;1-2H3/b7-5+;/t11?,12-;/m0./s1
InChIKeyYWTPMVBIPAXAAK-HIXBTEAASA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane

(5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane (PubChem CID 162036909) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane.

Molecular Properties

Compound Name(5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane
PubChem CID162036909
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane
SMILESCC.CCCCN1C(=O)CC[C@@H]1/C=C/CC(C)O
InChIInChI=1S/C13H23NO2.C2H6/c1-3-4-10-14-12(8-9-13(14)16)7-5-6-11(2)15;1-2/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3;1-2H3/b7-5+;/t11?,12-;/m0./s1
InChIKeyYWTPMVBIPAXAAK-HIXBTEAASA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-2-methylheptanoic acid
CID 22770548
7-[(2S)-2-[(E)-4-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 10237097
methyl 2-[4-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]butoxy]acetate
CID 59984991
5-[(E)-4-(3,5-difluorophenyl)but-1-enyl]-1-heptylpyrrolidin-2-one
CID 142208351
2-[4-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetic acid
CID 69355887
4-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl acetate
CID 10155288
4-[2-[(2R)-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-2-methylbutanoic acid
CID 69356210
ethyl 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-5-methylheptanoate
CID 22770546
4-[2-[2-[(E)-oct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 71002459
7-[(2R)-2-[(3R,4S)-3-hydroxy-4-methyldec-1-en-6-ynyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 118896991
5-hydroxy-1-pentylpyrrolidin-2-one
CID 14686205
4-[2-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-3-methylbutanoic acid
CID 10109784

Frequently Asked Questions

What is the IUPAC name of (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane?
The IUPAC name of (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane (CID 162036909) is (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane.
What is the SMILES notation for (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane?
The canonical SMILES for (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane is CC.CCCCN1C(=O)CC[C@@H]1/C=C/CC(C)O.
What is the InChIKey of (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane?
The InChIKey is YWTPMVBIPAXAAK-HIXBTEAASA-N. The full InChI is InChI=1S/C13H23NO2.C2H6/c1-3-4-10-14-12(8-9-13(14)16)7-5-6-11(2)15;1-2/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3;1-2H3/b7-5+;/t11?,12-;/m0./s1.
What are the key properties of (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane?
(5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane has a molecular weight of 255.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-butyl-5-[(E)-4-hydroxypent-1-enyl]pyrrolidin-2-one;ethane is sourced from PubChem (CID 162036909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).