(4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one

C16H29NO2 — CID 131735803

IUPAC(4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one
SMILESCCCCCC1C/C(C)=C/CCCCC(=O)N1OC
InChIInChI=1S/C16H29NO2/c1-4-5-7-11-15-13-14(2)10-8-6-9-12-16(18)17(15)19-3/h10,15H,4-9,11-13H2,1-3H3/b14-10+
InChIKeyCMWYURMQJOYJHF-GXDHUFHOSA-N
MW267.41 g/mol
LogP4.24
Rot. Bonds5

About (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one

(4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one (PubChem CID 131735803) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one.

Molecular Properties

Compound Name(4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one
PubChem CID131735803
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one
SMILESCCCCCC1C/C(C)=C/CCCCC(=O)N1OC
InChIInChI=1S/C16H29NO2/c1-4-5-7-11-15-13-14(2)10-8-6-9-12-16(18)17(15)19-3/h10,15H,4-9,11-13H2,1-3H3/b14-10+
InChIKeyCMWYURMQJOYJHF-GXDHUFHOSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one?
The IUPAC name of (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one (CID 131735803) is (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one.
What is the SMILES notation for (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one?
The canonical SMILES for (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one is CCCCCC1C/C(C)=C/CCCCC(=O)N1OC.
What is the InChIKey of (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one?
The InChIKey is CMWYURMQJOYJHF-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-5-7-11-15-13-14(2)10-8-6-9-12-16(18)17(15)19-3/h10,15H,4-9,11-13H2,1-3H3/b14-10+.
What are the key properties of (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one?
(4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one has a molecular weight of 267.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one is sourced from PubChem (CID 131735803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).