5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one

C23H36N2O2 — CID 45199823

IUPAC5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C23H36N2O2/c1-3-13-23(14-4-2)15-8-16-25(23)22(27)20-11-12-21(26)24(18-20)17-19-9-6-5-7-10-19/h3-4,19-20H,1-2,5-18H2
InChIKeyGZQKUIYIFOFVHO-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.32
Rot. Bonds7

About 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one

5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one (PubChem CID 45199823) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one.

Molecular Properties

Compound Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one
PubChem CID45199823
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one
SMILESC=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C23H36N2O2/c1-3-13-23(14-4-2)15-8-16-25(23)22(27)20-11-12-21(26)24(18-20)17-19-9-6-5-7-10-19/h3-4,19-20H,1-2,5-18H2
InChIKeyGZQKUIYIFOFVHO-UHFFFAOYSA-N
XLogP4.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.32
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 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one?
The IUPAC name of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one (CID 45199823) is 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one.
What is the SMILES notation for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one?
The canonical SMILES for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one is C=CCC1(CC=C)CCCN1C(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one?
The InChIKey is GZQKUIYIFOFVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-3-13-23(14-4-2)15-8-16-25(23)22(27)20-11-12-21(26)24(18-20)17-19-9-6-5-7-10-19/h3-4,19-20H,1-2,5-18H2.
What are the key properties of 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one?
5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one has a molecular weight of 372.55 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-(cyclohexylmethyl)piperidin-2-one is sourced from PubChem (CID 45199823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).