(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one

C15H25NO2 — CID 144515567

IUPAC(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
SMILESCOC1/C=C/CCCCNC(=O)C/C(C)=C\CC1
InChIInChI=1S/C15H25NO2/c1-13-8-7-10-14(18-2)9-5-3-4-6-11-16-15(17)12-13/h5,8-9,14H,3-4,6-7,10-12H2,1-2H3,(H,16,17)/b9-5+,13-8-
InChIKeyNWYCFTXIPZQJLT-VONIIWBQSA-N
MW251.37 g/mol
LogP2.97
Rot. Bonds1

About (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one

(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one (PubChem CID 144515567) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one.

Molecular Properties

Compound Name(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
PubChem CID144515567
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
SMILESCOC1/C=C/CCCCNC(=O)C/C(C)=C\CC1
InChIInChI=1S/C15H25NO2/c1-13-8-7-10-14(18-2)9-5-3-4-6-11-16-15(17)12-13/h5,8-9,14H,3-4,6-7,10-12H2,1-2H3,(H,16,17)/b9-5+,13-8-
InChIKeyNWYCFTXIPZQJLT-VONIIWBQSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 58811364
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(3Z,5E)-5-ethoxy-7-methylidene-1,2,8,9-tetrahydroazecin-10-one
CID 89591584
(E)-N-[(E)-4-methoxybut-2-enyl]non-6-enamide
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3-methoxy-2-methyl-N-(2-methylpropyl)hex-4-enamide
CID 123378652
N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide
CID 123670587
N-[2-(7-methoxy-6,7-dihydronaphthalen-1-yl)ethyl]acetamide
CID 126607224
(2E)-N-ethyl-4,7-dimethoxy-2-methylnona-2,5,8-trienamide
CID 130413228
3-methyl-N-[(4Z)-4-(5-methyloxolan-3-ylidene)butan-2-yl]but-3-enamide
CID 138742170
ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
CID 142386186
(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
CID 142386187
ethane;(4Z,6E)-N-ethyl-6-(propan-2-yloxymethyl)nona-4,6-dienamide
CID 142894613

Frequently Asked Questions

What is the IUPAC name of (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one?
The IUPAC name of (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one (CID 144515567) is (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one.
What is the SMILES notation for (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one?
The canonical SMILES for (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one is COC1/C=C/CCCCNC(=O)C/C(C)=C\CC1.
What is the InChIKey of (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one?
The InChIKey is NWYCFTXIPZQJLT-VONIIWBQSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13-8-7-10-14(18-2)9-5-3-4-6-11-16-15(17)12-13/h5,8-9,14H,3-4,6-7,10-12H2,1-2H3,(H,16,17)/b9-5+,13-8-.
What are the key properties of (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one?
(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one is sourced from PubChem (CID 144515567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).