methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate

C13H23NO2 — CID 117267442

IUPACmethyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate
SMILESCOC(=O)C/C=C\CC1CCN(C(C)C)C1
InChIInChI=1S/C13H23NO2/c1-11(2)14-9-8-12(10-14)6-4-5-7-13(15)16-3/h4-5,11-12H,6-10H2,1-3H3/b5-4-
InChIKeyXFVCZUSXJUDMKK-PLNGDYQASA-N
MW225.33 g/mol
LogP2.23
Rot. Bonds5

About methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate

methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate (PubChem CID 117267442) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate
PubChem CID117267442
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate
SMILESCOC(=O)C/C=C\CC1CCN(C(C)C)C1
InChIInChI=1S/C13H23NO2/c1-11(2)14-9-8-12(10-14)6-4-5-7-13(15)16-3/h4-5,11-12H,6-10H2,1-3H3/b5-4-
InChIKeyXFVCZUSXJUDMKK-PLNGDYQASA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.23
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

(2-Azanorborn-5-en-2-yl)methyl acetate
CID 129762380
2-methyl-1-propan-2-yl-3-[(E)-4-propoxybut-1-enyl]pyrrolidine
CID 172350020
methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-2-enoate
CID 117266138
methyl (Z)-4-(1-methylpyrrolidin-3-yl)but-3-enoate
CID 117267335
(Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid
CID 117267337
methyl (Z)-4-(1-ethylpyrrolidin-3-yl)but-3-enoate
CID 117267338
methyl (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoate
CID 117267339
methyl (Z)-4-(1-methylpiperidin-4-yl)but-3-enoate
CID 117267382
methyl (Z)-4-(1-ethylpiperidin-4-yl)but-3-enoate
CID 117267385
methyl (Z)-4-(1-propan-2-ylpiperidin-4-yl)but-3-enoate
CID 117267386
(Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enal
CID 117267428
(Z)-5-(1-methylpyrrolidin-3-yl)pent-3-enoic acid
CID 117267436

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate?
The IUPAC name of methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate (CID 117267442) is methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate.
What is the SMILES notation for methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate?
The canonical SMILES for methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate is COC(=O)C/C=C\CC1CCN(C(C)C)C1.
What is the InChIKey of methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate?
The InChIKey is XFVCZUSXJUDMKK-PLNGDYQASA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)14-9-8-12(10-14)6-4-5-7-13(15)16-3/h4-5,11-12H,6-10H2,1-3H3/b5-4-.
What are the key properties of methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate?
methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate has a molecular weight of 225.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate is sourced from PubChem (CID 117267442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).