12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one

C14H21NO2 — CID 123892108

IUPAC12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one
SMILESCCC1CC2CC3C(=O)CCC4OC4N(C2)C13
InChIInChI=1S/C14H21NO2/c1-2-9-5-8-6-10-11(16)3-4-12-14(17-12)15(7-8)13(9)10/h8-10,12-14H,2-7H2,1H3
InChIKeyJUDJPRHZZFFBRK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.81
Rot. Bonds1

About 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one

12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one (PubChem CID 123892108) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one.

Molecular Properties

Compound Name12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one
PubChem CID123892108
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one
SMILESCCC1CC2CC3C(=O)CCC4OC4N(C2)C13
InChIInChI=1S/C14H21NO2/c1-2-9-5-8-6-10-11(16)3-4-12-14(17-12)15(7-8)13(9)10/h8-10,12-14H,2-7H2,1H3
InChIKeyJUDJPRHZZFFBRK-UHFFFAOYSA-N
XLogP1.81
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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6-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
CID 85238719
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CID 163567938
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one
CID 66370991
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CID 122225312
5-[(1R,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-6-yl]pyrrolidin-2-one
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2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543796
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 63634778
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Frequently Asked Questions

What is the IUPAC name of 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one?
The IUPAC name of 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one (CID 123892108) is 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one.
What is the SMILES notation for 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one?
The canonical SMILES for 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one is CCC1CC2CC3C(=O)CCC4OC4N(C2)C13.
What is the InChIKey of 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one?
The InChIKey is JUDJPRHZZFFBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-9-5-8-6-10-11(16)3-4-12-14(17-12)15(7-8)13(9)10/h8-10,12-14H,2-7H2,1H3.
What are the key properties of 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one?
12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one has a molecular weight of 235.33 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-3-oxa-1-azatetracyclo[8.3.1.02,4.08,13]tetradecan-7-one is sourced from PubChem (CID 123892108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).