[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone

C16H25NO2 — CID 56759753

IUPAC[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCCCO1
InChIInChI=1S/C16H25NO2/c1-3-9-16(10-4-2)11-7-12-17(16)15(18)14-8-5-6-13-19-14/h3-4,14H,1-2,5-13H2
InChIKeyNTKYJMZMQBDQLU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.07
Rot. Bonds5

About [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone

[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone (PubChem CID 56759753) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
PubChem CID56759753
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCCCO1
InChIInChI=1S/C16H25NO2/c1-3-9-16(10-4-2)11-7-12-17(16)15(18)14-8-5-6-13-19-14/h3-4,14H,1-2,5-13H2
InChIKeyNTKYJMZMQBDQLU-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone?
The IUPAC name of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone (CID 56759753) is [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone is C=CCC1(CC=C)CCCN1C(=O)C1CCCCO1.
What is the InChIKey of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone?
The InChIKey is NTKYJMZMQBDQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-9-16(10-4-2)11-7-12-17(16)15(18)14-8-5-6-13-19-14/h3-4,14H,1-2,5-13H2.
What are the key properties of [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone?
[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 56759753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).