1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine

C23H45NO — CID 143089571

IUPAC1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCCCC1.CC.CC.CC(=O)C1=CCCC=C1.CCC
InChIInChI=1S/C8H15N.C8H10O.C3H8.2C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(9)8-5-3-2-4-6-8;1-3-2;2*1-2/h1,3-7H2,2H3;3,5-6H,2,4H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyNIQSUCZJNTZVGC-UHFFFAOYSA-N
MW351.62 g/mol
LogP7.33
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine

1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine (PubChem CID 143089571) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine
PubChem CID143089571
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCCCC1.CC.CC.CC(=O)C1=CCCC=C1.CCC
InChIInChI=1S/C8H15N.C8H10O.C3H8.2C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(9)8-5-3-2-4-6-8;1-3-2;2*1-2/h1,3-7H2,2H3;3,5-6H,2,4H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyNIQSUCZJNTZVGC-UHFFFAOYSA-N
XLogP7.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine (CID 143089571) is 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine is C=C(C)N1CCCCC1.CC.CC.CC(=O)C1=CCCC=C1.CCC.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine?
The InChIKey is NIQSUCZJNTZVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C8H10O.C3H8.2C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(9)8-5-3-2-4-6-8;1-3-2;2*1-2/h1,3-7H2,2H3;3,5-6H,2,4H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine?
1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine has a molecular weight of 351.62 g/mol, XLogP of 7.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylethanone;ethane;propane;1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 143089571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).