1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol

C16H28N2O — CID 171103654

IUPAC1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol
SMILESC=C(C(C1=CN(C(C)C)C1)C(C)C)N1CCC(O)C1
InChIInChI=1S/C16H28N2O/c1-11(2)16(14-8-18(9-14)12(3)4)13(5)17-7-6-15(19)10-17/h8,11-12,15-16,19H,5-7,9-10H2,1-4H3
InChIKeySHYWTPTXQYTKCW-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.45
Rot. Bonds5

About 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol

1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol (PubChem CID 171103654) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol
PubChem CID171103654
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol
SMILESC=C(C(C1=CN(C(C)C)C1)C(C)C)N1CCC(O)C1
InChIInChI=1S/C16H28N2O/c1-11(2)16(14-8-18(9-14)12(3)4)13(5)17-7-6-15(19)10-17/h8,11-12,15-16,19H,5-7,9-10H2,1-4H3
InChIKeySHYWTPTXQYTKCW-UHFFFAOYSA-N
XLogP2.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3-methyl-2-(3-prop-1-en-2-yl-1,2-oxazol-5-yl)butan-1-one
CID 170581576
1-(3-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
CID 91486972
2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one
CID 130684881
2-(3-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one
CID 111781942
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 131007907
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561228
(2S)-2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 89061522
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide
CID 130609050
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 130920541

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol (CID 171103654) is 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol is C=C(C(C1=CN(C(C)C)C1)C(C)C)N1CCC(O)C1.
What is the InChIKey of 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol?
The InChIKey is SHYWTPTXQYTKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)16(14-8-18(9-14)12(3)4)13(5)17-7-6-15(19)10-17/h8,11-12,15-16,19H,5-7,9-10H2,1-4H3.
What are the key properties of 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol?
1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol has a molecular weight of 264.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(1-propan-2-yl-2H-azet-3-yl)pent-1-en-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 171103654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).