14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene

C13H21NO — CID 12637115

IUPAC14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
SMILESCc1c2noc1CCCCCCCCC2
InChIInChI=1S/C13H21NO/c1-11-12-9-7-5-3-2-4-6-8-10-13(11)15-14-12/h2-10H2,1H3
InChIKeySNKRGHDKAPMSKA-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.81
Rot. Bonds

About 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene

14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene (PubChem CID 12637115) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene.

Molecular Properties

Compound Name14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
PubChem CID12637115
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
SMILESCc1c2noc1CCCCCCCCC2
InChIInChI=1S/C13H21NO/c1-11-12-9-7-5-3-2-4-6-8-10-13(11)15-14-12/h2-10H2,1H3
InChIKeySNKRGHDKAPMSKA-UHFFFAOYSA-N
XLogP3.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Cyclohexyl-5-methyl-1,2-oxazole-4-carboxylic acid
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3-Propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 5407249
3-Cyclohexyl-4-methyl-1,2-oxazol-5-amine
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4-Isoxazolemethanamine, 3,5-diethyl-
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3-Methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)isoxazole
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CID 24973884

Frequently Asked Questions

What is the IUPAC name of 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene?
The IUPAC name of 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene (CID 12637115) is 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene.
What is the SMILES notation for 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene?
The canonical SMILES for 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene is Cc1c2noc1CCCCCCCCC2.
What is the InChIKey of 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene?
The InChIKey is SNKRGHDKAPMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-12-9-7-5-3-2-4-6-8-10-13(11)15-14-12/h2-10H2,1H3.
What are the key properties of 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene?
14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene has a molecular weight of 207.32 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene is sourced from PubChem (CID 12637115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).